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Bioinformatics With BB

Molecular Dynamics Simulation with GROMACS - Installation and Beginner Tutorial

1 rewiews
Step-by-step guide to install GROMACS and run a beginner-level molecular dynamics simulation of a protein in water, covering both Windows and Linux platforms.
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1 Lesons
24 minutes
On-Demand
Free-Video
ICTP-SAIFR

Quantifying Large-Scale Dynamics of Complex Molecular Assemblies

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Explore quantitative methods for analyzing large-scale dynamics in complex molecular systems, focusing on advanced techniques and their applications in molecular biophysics.
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1 Lesons
34 minutes
On-Demand
Free-Video
ICTP-SAIFR

Computational Biophysics Approaches to Mechanosensing

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Explore computational biophysics methods for understanding mechanosensing, focusing on cutting-edge approaches and their applications in molecular biology research.
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1 Lesons
44 minutes
On-Demand
Free-Video
ICTP-SAIFR

Constant-pH MD Simulations as a Tool to Unveil pH Effects on Biomolecules

0 rewiews
Explore constant-pH MD simulations to uncover pH effects on biomolecules. Gain insights into advanced molecular biophysics techniques and their applications.
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1 Lesons
38 minutes
On-Demand
Free-Video
ICTP-SAIFR

Computational Investigation of Ultrafast Protein-Water Interactions

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Explore computational methods for studying ultrafast interactions between proteins and water molecules, uncovering insights into molecular biophysics.
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1 Lesons
13 minutes
On-Demand
Free-Video
Broad Institute

Active Learning for Absolute Binding Free Energy Calculations in Drug Discovery

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Explore innovative active learning techniques for absolute binding free energy calculations, enhancing drug discovery processes and efficiency.
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1 Lesons
23 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Recently Added Features in DCDFTBMD Program

0 rewiews
Explore recent additions to DCDFTBMD program, enhancing molecular dynamics simulations and computational chemistry capabilities.
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1 Lesons
22 minutes
On-Demand
Free-Video
ICTP-SAIFR

Molecular Dynamics Simulation of Supercooled ZnSe - Structural Relaxation and Crystal Nucleation

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Explore molecular dynamics simulation of supercooled ZnSe, focusing on structural relaxation and crystal nucleation processes in condensed matter theory.
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1 Lesons
20 minutes
On-Demand
Free-Video
ICTP-SAIFR

Theoretical Study of Solvent Effects on the Electronic Properties of Mononuclear Ru/Aqua Catalysts for Water Splitting

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Explore theoretical approaches to solvent effects on electronic properties of Ru/Aqua catalysts for water splitting in this condensed matter physics talk.
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1 Lesons
30 minutes
On-Demand
Free-Video
ATOMS UFRJ

Key Aspects When Modelling Amphiphiles with MARTINI

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Explore key aspects of modeling amphiphiles using MARTINI, covering AA-to-CG validation, phase behavior, and transferability in molecular dynamics simulations.
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14 Lesons
43 minutes
On-Demand
Free-Video
ATOMS UFRJ

Ion-Pairing in Ionic Liquid-Based Electrolytes

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Explore ion-pairing mechanisms in ionic liquid-based electrolytes, focusing on their applications and implications for energy storage and electrochemical systems.
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1 Lesons
41 minutes
On-Demand
Free-Video
Cambridge Materials

Water Transport in Boron Nitride Nanotube Membranes

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Explore water transport in boron nitride nanotube membranes, comparing with carbon nanotubes. Analyze flow resistance factors and simulation challenges to understand contradictions in literature.
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16 Lesons
21 minutes
On-Demand
Free-Video
Association for Computing Machinery (ACM)

Data Science for Assembly Engineering - Sharon C Glotzer

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Explore data science applications in assembly engineering, covering self-assembly, crystallization, and machine learning techniques for structural analysis and visualization.
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31 Lesons
56 minutes
On-Demand
Free-Video
Applied Algebraic Topology Network

Geometric and Topological Data Analysis of Enzyme Kinetics

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Explore geometric and topological data analysis techniques applied to enzyme kinetics, focusing on ERK molecular dynamics and its implications for cancer and developmental defects.
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10 Lesons
24 minutes
On-Demand
Free-Video
Applied Algebraic Topology Network

Non-Diffusive Vortexes at Transition State of Activated Process by Persistent Homology

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Exploring non-diffusive dynamics in molecular transitions using persistent homology, revealing reactive vortexes and rotational fluxes at transition states of alanine-dipeptide isomerization.
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1 Lesons
33 minutes
On-Demand
Free-Video
Materials Cloud

Methods for Computational Biology and Drug Discovery

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Explore fundamental computational methods in physics and chemistry, presented by their creators, with insights into their development and applications.
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1 Lesons
2 hours 29 minutes
On-Demand
Free-Video
Center for Physical Genomics and Engineering

Modeling of Nucleosome Clustering in Euchromatin Resulting from Reader Protein Interactions

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Explore nucleosome clustering in euchromatin through modeling interactions between reader proteins. Gain insights into chromosomal organization and dynamics from the Spakowitz lab's research.
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1 Lesons
25 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

Coarse-grained Simulations of Nucleosomes

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Explore coarse-grained simulations of nucleosomes to understand chromatin organization and gene regulation through interdisciplinary computational modeling techniques.
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1 Lesons
17 minutes
On-Demand
Free-Video
Simons Institute

Sampling Using Diffusion Processes, From Langevin to Schrödinger

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Explore diffusion processes in sampling, from Langevin dynamics to Schrödinger bridges, with insights on geometric methods in optimization and their applications.
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1 Lesons
1 hour 14 minutes
On-Demand
Free-Video
Applied Algebraic Topology Network

The Intrinsic Volumes of a Space Filling Diagram and Their Derivatives

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Explore intrinsic volumes in molecular dynamics, focusing on space-filling diagrams and their derivatives. Learn formulas for weighted volumes and curvatures in Alpha shape representations.
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1 Lesons
50 minutes
On-Demand
Free-Video
Hausdorff Center for Mathematics

Stochastic Analysis and Geometric Functional Inequalities

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Explore methods for proving functional inequalities in hypoelliptic diffusions, including geometric and probabilistic approaches, with applications to Langevin dynamics ergodicity.
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1 Lesons
56 minutes
On-Demand
Free-Video
Hausdorff Center for Mathematics

Entropy Techniques for Nonlinear Partial Differential Equations - A Few Examples

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Explore entropy techniques for nonlinear PDEs, focusing on Fokker-Planck equations. Learn applications in polymeric fluids, molecular dynamics, and high-dimensional algorithms.
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1 Lesons
1 hour 5 minutes
On-Demand
Free-Video
Society for Industrial and Applied Mathematics

Speeding up Langevin Dynamics by Mixing

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Explore a method to accelerate Langevin dynamics using mixing drift, improving convergence to stationary distribution in polynomial time for systems with multiple local minima.
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1 Lesons
1 hour 1 minute
On-Demand
Free-Video
Erwin Schrödinger International Institute for Mathematics and Physics (ESI)

Constrained Stochastic Processes: From Brownian Motion to Run-and-Tumble Particles

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Explore constrained stochastic processes, including Brownian motion, Lévy flights, and run-and-tumble particles. Learn effective dynamics for generating constrained trajectories in various scenarios.
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1 Lesons
32 minutes
On-Demand
Free-Video
Institute for Mathematical Sciences

Optimal Transport and High-Dimensional Probability - Langevin Dynamics via Calculus

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Explore optimal transport, high-dimensional probability, and Langevin dynamics through advanced calculus techniques in this mathematical deep dive.
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1 Lesons
54 minutes
On-Demand
Free-Video
Institut Henri Poincaré

A Fluid-Based Model for Single-Cell Migration

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Explore a deterministic model of single-cell migration using fluid dynamics and molecular interactions. Analyze static and motile behaviors through mathematical and numerical approaches.
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1 Lesons
32 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Coarse Graining and Multiscale Modeling of DNA - Part 2

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Delve into advanced DNA modeling techniques, exploring coarse graining and multiscale approaches for understanding complex molecular structures and interactions at different computational levels.
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1 Lesons
51 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Coarse Graining and Multiscale Modeling of DNA - Part 1

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Explore advanced computational techniques for DNA modeling, focusing on coarse-graining methods and multiscale approaches to understand DNA structure and dynamics at different resolutions.
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1 Lesons
46 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Molecular Dynamics Analysis of Particle Number Fluctuations in First-Order Phase Transitions

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Explore molecular dynamics analysis of particle fluctuations during first-order phase transitions through advanced theoretical physics research presented at the XIV Young Scientists Conference.
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1 Lesons
19 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Specific Effects of Alkali Metal Ions on the Vibrational Dynamics of DNA Ion-Hydration

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Explore the intricate relationship between alkali metal ions and DNA hydration dynamics through advanced computational physics and vibrational analysis techniques.
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1 Lesons
1 hour 4 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Modelling NMR Properties of Complex Molecular Materials by Means of an Integrated MD-QM/MM Approach

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Dive into advanced molecular dynamics and quantum mechanics approaches for modeling NMR properties of complex materials, with focus on integrated MD-QM/MM methodology.
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1 Lesons
1 hour 8 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Using ChatGPT in Molecular Dynamics Simulations - Applications to Nucleic Acids

0 rewiews
Discover how to leverage ChatGPT for molecular dynamics simulations, focusing on nucleic acids analysis and computational physics applications in DNA research.
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1 Lesons
1 hour 1 minute
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Computer Simulations of DNA-Ligand Intercalation Complexes - Special Features

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Dive into advanced computational methods for studying DNA-ligand intercalation complexes, exploring simulation techniques and key molecular interactions in biophysical research.
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1 Lesons
1 hour
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Phase Behavior of Ionic Liquids in Disordered Porous Media

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Explore the complex dynamics of ionic liquids within disordered porous media, examining their phase behavior and fundamental physical properties through theoretical physics analysis.
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1 Lesons
52 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Force Fields and Molecular Dynamics Simulations - Applications to Nucleic Acids

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Dive into molecular dynamics simulations and force fields, exploring their practical applications in nucleic acid research through advanced computational physics methods and theoretical frameworks.
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1 Lesons
1 hour 11 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Molecular Dynamics: From the Problem of Hard Spheres to the DNA Macromolecule

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Explore molecular dynamics principles and applications, from basic hard sphere models to complex DNA macromolecular structures in this comprehensive physics workshop lecture.
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1 Lesons
58 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Uncertainty-Aware Machine Learning Models of Many-Body Atomic Interactions

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Explore symmetry-aware machine learning models for atomic interactions, focusing on E(3)-equivariant neural potentials and Bayesian force fields for improved accuracy in materials modeling.
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23 Lesons
58 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Fully Quantum (Bio)Molecular Simulations: Dream or Reality?

0 rewiews
Explore the convergence of quantum mechanics and machine learning in molecular simulations, addressing challenges and future developments for complex (bio)molecular systems.
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1 Lesons
1 hour 2 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Molecular Electron Densities via Machine Learning - IPAM at UCLA

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Explore machine learning techniques for predicting molecular electron densities and energies, with applications in quantum mechanics and molecular dynamics simulations.
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18 Lesons
38 minutes
On-Demand
Free-Video
Bioinformatics With BB

Molecular Dynamics Simulations with Gromacs - Beginner Tutorial Session 2

0 rewiews
Learn MD simulation steps, RMSD/RMSF graph generation in Windows using Gromacs. Covers system preparation, energy minimization, equilibration, and analysis for molecular dynamics simulations.
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12 Lesons
24 minutes
On-Demand
Free-Video
Institute for Pure & Applied Mathematics (IPAM)

Estimate Transport Coefficients From Short Equilibrium Molecular-Dynamic Simulation

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Discover optimal methods for estimating transport coefficients in molecular dynamics simulations, enhancing efficiency and accuracy in quantum mechanics research.
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1 Lesons
48 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

Grafted Nanoparticle Melts as Novel Gas Separation Media - Lecture 3

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Exploring grafted nanoparticle melts for innovative gas separation techniques. Lecture delves into advanced materials science, focusing on nanoparticle applications in molecular filtration and separation processes.
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1 Lesons
1 hour 13 minutes
On-Demand
Free-Video
International Centre for Theoretical Sciences

Polymer Material Design for Gas Separations - Lecture 2

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Explore polymer material design for gas separations, focusing on advanced techniques and applications in membrane technology for efficient molecular separation processes.
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1 Lesons
1 hour 25 minutes
On-Demand
Free-Video
Let's Code Physics

Computational Problems for Intro Physics: Spring Molecule Energies - Matter and Interactions Supplement

0 rewiews
Explore energies in spring-bonded atoms through computational problems, supplementing Matter and Interactions physics courses with hands-on coding exercises.
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1 Lesons
18 minutes
On-Demand
Free-Video
Simons Institute

Generalizable Sampling of Conformational Ensembles with Latent Space Dynamics

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Explore innovative techniques for sampling conformational ensembles using latent space dynamics, enhancing our understanding of complex molecular systems and their behavior.
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1 Lesons
1 hour 2 minutes
On-Demand
Free-Video
nanohubtechtalks

Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

0 rewiews
Explore nanoscale polymer structures using atomic-level simulations. Learn about crystal structures, polymer science paradigms, and use an interactive Polymer Modeler to understand polyacrylonitrile processing and crystallization.
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13 Lesons
51 minutes
On-Demand
Free-Video
nanohubtechtalks

Teaching and Learning with the MIT Atomic Scale Modeling Toolkit - Classical and Quantum Atomic Modeling

0 rewiews
Explore classical and quantum atomic modeling using MIT's toolkit. Perform molecular dynamics, Monte Carlo simulations, and quantum chemistry computations. Learn practical applications for various physics and chemistry courses.
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9 Lesons
59 minutes
On-Demand
Free-Video
nanohubtechtalks

Building a Graphical Interface for Exploring Protein Dynamics and Spectroscopy - PigmentHunter

0 rewiews
Explore protein dynamics and spectroscopy with PigmentHunter, a user-friendly nanoHUB tool for simulating excitonic spectra of chlorophyll proteins. Learn its interface, workflow, and applications in molecular dynamics and spectral analysis.
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41 Lesons
30 minutes
On-Demand
Free-Video
nanohubtechtalks

Teaching Chemistry Tools on nanoHUB - Overview by George Schatz

0 rewiews
Explore nanoHUB tools for teaching chemistry, including DDSCAT, QC-Lab, and Nanosphere Optics Lab. Learn about applications in optics, spectroscopy, and molecular modeling from Prof. George Schatz.
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12 Lesons
12 minutes
On-Demand
Free-Video
Galileo Galilei Institute

Introduction to the Dynamics of Disordered Systems - Equilibrium and Gradient Descent - Part 3

0 rewiews
Explore equilibrium dynamics and gradient descent in disordered systems, focusing on theoretical concepts and practical applications in statistical physics and optimization.
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1 Lesons
1 hour 36 minutes
On-Demand
Free-Video
QChemSoftware

Multiscale Free Energy Simulations of Biochemical Reactions Using QMHub - Webinar 72

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Explore QMHub for efficient QM/MM simulations in biochemical reactions, combining enhanced sampling and machine learning for accurate modeling of biomolecular systems.
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20 Lesons
58 minutes
On-Demand
Free-Video
QChemSoftware

Q-Chem: An Engine for Innovation - 2024 Virtual Winter School in Computational Chemistry

0 rewiews
Explore recent developments and new features in Q-Chem code with Martin Head-Gordon from UC Berkeley, highlighting advancements in computational chemistry software.
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1 Lesons
36 minutes
On-Demand
Free-Video
QChemSoftware

Development of Nuclear-Electronic Orbital Methods in Q-Chem 6

0 rewiews
Explore advanced nuclear-electronic orbital methods in Q-Chem 6, including NEO-PCM and NEO-QM/MM approaches, for capturing nuclear quantum effects in chemical and biological applications.
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1 Lesons
1 hour
On-Demand
Free-Video
QChemSoftware

Introduction to Q-Chem Software Package - Session 1

0 rewiews
Explore Q-Chem software: features, community, and applications in computational chemistry. Learn about ground state methods, excited states, and molecular dynamics simulations.
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21 Lesons
31 minutes
On-Demand
Free-Video
ICTP-SAIFR

Nanoconfined Water - Class 2

0 rewiews
Explore nanoconfined water's properties and applications in biology and technology through expert insights and cutting-edge research.
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1 Lesons
1 hour 5 minutes
On-Demand
Free-Video
ICTP-SAIFR

Dynamics and Supercooled Water - Class 3

0 rewiews
Explore dynamics and supercooled water, focusing on anomalies and applications in biology and technology. Gain insights from expert Paola Gallo's in-depth lecture.
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1 Lesons
1 hour 42 minutes
On-Demand
Free-Video
ICTP-SAIFR

Dynamics and Supercooled Water - Class 1

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Explore the dynamics and properties of supercooled water in this comprehensive lecture, part of a specialized school on water anomalies and applications.
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1 Lesons
1 hour 23 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

QM-Rooted Multiscale Simulation - Eyes to See the Unseen, Buried Electric Double Layer

0 rewiews
Explore advanced QM-rooted multiscale simulation techniques to visualize and analyze hidden electric double layers in complex systems.
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1 Lesons
24 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Nonadiabatic Dynamics in the Long Timescale - The Next Challenge in Computational Photochemistry

0 rewiews
Explore nonadiabatic dynamics in long timescales and its impact on computational photochemistry. Gain insights into cutting-edge research challenges and potential solutions.
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1 Lesons
32 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Multireference Quantum Chemistry for Exploring Potential Energy Surfaces

0 rewiews
Explore potential energy surfaces using advanced multireference quantum chemistry techniques. Gain insights into complex molecular systems and their behavior.
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1 Lesons
28 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Probing Photochemistry in Protein Environment: QM/MM Study on Rhodopsins

0 rewiews
Explore photochemistry in proteins through QM/MM studies on Rhodopsins, uncovering molecular mechanisms and protein-chromophore interactions.
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1 Lesons
29 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes

0 rewiews
Explore nonadiabatic statistical theory for predicting spin-dependent process kinetics, comparing methods and examining real-world applications like ISC and surface reactions.
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12 Lesons
36 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Exploring Potential Energy Surfaces with the Unified Reaction Valley Approach (URVA)

0 rewiews
Explore potential energy surfaces using the unified reaction valley approach (URVA) for advanced chemical reaction analysis and understanding.
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1 Lesons
27 minutes
On-Demand
Free-Video
QCHEM LAB at KNU

Unraveling the Photochemical Mechanism of Iron Tris-2,2'-Bipyridine via Wavepacket Dynamics

0 rewiews
Explore photochemical mechanisms of iron complexes through wavepacket dynamics, uncovering insights into molecular behavior and reactions.
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1 Lesons
24 minutes
On-Demand
Free-Video
Valence Labs

Differentiable Simulations for Enhanced Sampling of Rare Events

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Explore differentiable simulations for enhanced sampling of rare events in chemical reactions, focusing on path-integral optimization and improvements to standard DiffSim techniques.
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8 Lesons
41 minutes
On-Demand
Free-Video
Valence Labs

Systematic Analysis of Biomolecular Conformational Ensembles with PENSA

0 rewiews
Explore biomolecular conformational ensembles using PENSA. Learn systematic analysis techniques, featurization methods, and state-specific information quantification for efficient molecular mechanism determination.
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8 Lesons
51 minutes
On-Demand
Free-Video
Valence Labs

Molecular Modeling of Complex Biological Systems

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Explore molecular modeling techniques for complex biological systems, focusing on chromatin dynamics, DNA methylation effects, and histone tail modeling. Learn to predict system responses to modifications and mutations.
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9 Lesons
35 minutes
On-Demand
Free-Video
Valence Labs

Learning Quantum Mechanics Using Embedding, Symmetric Polynomials and Composition

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Explore quantum mechanics through embedding, symmetric polynomials, and composition. Gain insights into molecular dynamics, atomic cluster expansion, and catalysis with practical demonstrations.
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7 Lesons
39 minutes
On-Demand
Free-Video
ICTP-SAIFR

Computational Modeling of Active Systems - Class 4

0 rewiews
Explore computational modeling techniques for active systems, focusing on advanced concepts and practical applications in the field of active matter.
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1 Lesons
1 hour 30 minutes
On-Demand
Free-Video
ICTP-SAIFR

Computational Modeling of Active Systems - Class 3

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Explore computational modeling techniques for active systems, focusing on advanced concepts and practical applications in the field of active matter.
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1 Lesons
1 hour 20 minutes
On-Demand
Free-Video
Centre de recherches mathématiques - CRM

Spacetime Correlations of the Classical Toda Chain in Thermal Equilibrium

0 rewiews
Explore spacetime correlations in the classical Toda chain, comparing molecular dynamics simulations with Landau-Lifshitz theory predictions based on generalized hydrodynamics.
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1 Lesons
1 hour 3 minutes
On-Demand
Free-Video
Erwin Schrödinger International Institute for Mathematics and Physics (ESI)

Discovering Dynamic Laws from Observations: The Case of Self-Propelled Particles

0 rewiews
Explore machine learning techniques for uncovering forces in active matter systems, from cellular to animal scales. Learn to extract local dynamics crucial for understanding collective phenomena.
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1 Lesons
26 minutes
On-Demand
Free-Video
ICTP-SAIFR

Computational Modeling of Active Systems - Class 1

0 rewiews
Explore computational modeling techniques for active systems, focusing on fundamental principles and practical applications in the field of active matter.
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1 Lesons
1 hour 32 minutes
On-Demand
Free-Video
Valence Labs

Timewarp: Transferable Acceleration of Molecular Dynamics by Time-Coarsened Dynamics

0 rewiews
Explore Timewarp: a transferable method for accelerating molecular dynamics simulations using normalizing flows, enhancing sampling efficiency for equilibrium properties of molecular systems.
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9 Lesons
55 minutes
On-Demand
Free-Video
Valence Labs

Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics

0 rewiews
Explore accelerated molecular dynamics simulation using Timewarp, a transferable AI method for efficient sampling of molecular systems and discovery of metastable states.
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12 Lesons
1 hour 15 minutes
On-Demand
Free-Video
Valence Labs

PepFlow: Direct Conformational Sampling From Peptide Energy Landscapes

0 rewiews
Explore PepFlow, a deep learning approach for direct conformational sampling of peptides. Learn about its modular design, hypernetwork integration, and applications in drug discovery.
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10 Lesons
56 minutes
On-Demand
Free-Video
Valence Labs

Accelerate Atomistic Simulations, Sampling, and Dynamics - Day 2

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Explore advanced techniques for accelerating atomistic simulations, enhancing sampling methods, and optimizing dynamics in drug discovery research.
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1 Lesons
1 hour 1 minute
On-Demand
Free-Video
Valence Labs

Coarse Grained Biological Systems - Day 2

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Explore coarse-grained biological systems in drug discovery with Jacopo Venturin, delving into advanced machine learning applications for pharmaceutical research.
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1 Lesons
57 minutes
On-Demand
Free-Video
Valence Labs

Training Neural Network Potentials: Bayesian and Simulation-based Approaches

0 rewiews
Explore advanced techniques for training neural network potentials in molecular dynamics simulations, including data-efficient methods, experimental data integration, and uncertainty quantification for reliable results.
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14 Lesons
1 hour 4 minutes
On-Demand
Free-Video
Valence Labs

Accelerating Cryptic Pocket Discovery Using AlphaFold and Markov State Modeling

0 rewiews
Explore cryptic pocket discovery using AlphaFold and Markov State Modelling. Learn about Plasmepsin II, transition states, and activation mechanisms in drug discovery.
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7 Lesons
32 minutes
On-Demand
Free-Video
Valence Labs

Chemically Transferable Generative Backmapping of Coarse-Grained Proteins

0 rewiews
Explore innovative machine learning techniques for generative backmapping of coarse-grained proteins, focusing on transferability, reliability, and efficiency in molecular simulations.
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17 Lesons
1 hour 6 minutes
On-Demand
Free-Video
Valence Labs

Path Integral Stochastic Optimal Control for Sampling Transition Paths in Molecular Dynamics

0 rewiews
Explore stochastic optimal control for sampling molecular transition paths, considering full geometry without relying on collective variables. Applicable to larger proteins like Polyproline and Chignolin.
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14 Lesons
1 hour 7 minutes
On-Demand
Free-Video
Manolis Kellis

Protein Folding Algorithms - Lecture 9

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Explore protein folding algorithms, their applications, and computational approaches in structural biology and drug discovery.
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1 Lesons
1 hour 20 minutes
On-Demand
Free-Video
Valence Labs

Differentiable Simulations for Enhanced Sampling of Rare Events

0 rewiews
Explore deep learning applications in molecular simulations, including surrogate functions, sampling complex distributions, and time-propagation of differential equations. Learn about active learning, generative models, and reaction path finding.
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10 Lesons
1 hour 1 minute
On-Demand
Free-Video
Valence Labs

Benchmark and Critical Evaluation for ML Force Fields with Molecular Simulations

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Explore benchmarking and critical evaluation of machine learning force fields in molecular simulations, focusing on realistic MD trajectories beyond force prediction accuracy.
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11 Lesons
1 hour 1 minute
On-Demand
Free-Video
Valence Labs

ProtMD: Incorporating Conformation Flexibility for Drug Binding via Pretraining on MD Simulations

0 rewiews
Explore ProtMD, a novel approach incorporating protein flexibility in drug binding predictions using molecular dynamics simulations and self-supervised learning techniques for improved accuracy.
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10 Lesons
44 minutes
On-Demand
Free-Video
Labroots

Dynamics and Mechanisms of CRISPR-Cas9 Through the Lens of Computational Methods

0 rewiews
Explore computational methods revealing CRISPR-Cas9 dynamics and mechanisms, from RNA binding to large-scale conformational changes, enhancing understanding of this revolutionary genome-editing tool.
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4 Lesons
23 minutes
On-Demand
Free-Video
Valence Labs

Scalable Molecular Simulation of Electrolyte Solutions with Quantum Chemical Accuracy

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Explore advanced molecular simulation techniques for electrolyte solutions using neural network potentials and DFT, achieving quantum chemical accuracy and revealing novel insights in solution behavior.
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5 Lesons
1 hour 12 minutes
On-Demand
Free-Video
Valence Labs

Stability-Aware Boltzmann Estimator Training of Neural Network Interatomic Potentials

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Explore advanced neural network interatomic potentials for molecular dynamics simulations using Stability-Aware Boltzmann Estimator Training to enhance stability and accuracy across various systems and architectures.
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6 Lesons
1 hour 22 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Молекулярна динаміка для фазового переходу рідина-газ - Частина 2

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Delve into молекулярну динаміку та фізичні процеси фазового переходу рідина-газ через поглиблений теоретичний аналіз та сучасні дослідження.
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1 Lesons
1 hour 55 minutes
On-Demand
Free-Video
Bogolyubov Institute for Theoretical Physics

Молекулярна динаміка для фазового переходу рідина-газ

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Дослідіть молекулярну динаміку та механізми фазового переходу між рідким і газоподібним станами речовини через поглиблений теоретичний аналіз та моделювання.
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1 Lesons
2 hours 11 minutes
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Bogolyubov Institute for Theoretical Physics

Невідомий, Відомий Броунівський Рух

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Дослідіть глибинні аспекти броунівського руху, від класичних концепцій до сучасних відкриттів, розкриваючи маловідомі властивості та практичне застосування цього фізичного явища.
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1 Lesons
1 hour 47 minutes
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Bogolyubov Institute for Theoretical Physics

Молекулярно-динамічні моделювання колективної динаміки іон-гідратної оболонки подвійної спіралі ДНК

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Дослідіть молекулярно-динамічне моделювання колективної поведінки іон-гідратної оболонки ДНК та її вплив на структурну динаміку подвійної спіралі.
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1 Lesons
48 minutes
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Bogolyubov Institute for Theoretical Physics

Метод класичної молекулярної динаміки в моделюванні властивостей молекули подвійної спіралі ДНК

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Dive into classical molecular dynamics methods and their application in modeling DNA double helix properties, exploring computational approaches in modern biophysics research.
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1 Lesons
1 hour 43 minutes
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Bogolyubov Institute for Theoretical Physics

Молекулярна динаміка для фазового переходу рідина-газ - Частина 2

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Дослідіть молекулярну динаміку та механізми фазового переходу між рідким і газоподібним станами речовини через поглиблений теоретичний аналіз та моделювання.
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1 Lesons
1 hour 55 minutes
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Bogolyubov Institute for Theoretical Physics

Молекулярна динаміка для фазового переходу рідина-газ

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Дослідіть молекулярну динаміку та механізми фазового переходу між рідким і газоподібним станами речовини через поглиблений теоретичний аналіз та сучасні наукові підходи.
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1 Lesons
2 hours 11 minutes
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Bogolyubov Institute for Theoretical Physics

Флуктуації та Кореляції Частинок у Молекулярній Динаміці

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Дослідіть флуктуації та кореляції частинок у системах з потенціалом Ленарда-Джонса, формування кластерів та їх вплив на метастабільні стани в молекулярній динаміці.
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1 Lesons
1 hour 26 minutes
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Association for Computing Machinery (ACM)

Estimating Normalizing Constants for Log-Concave Distributions - Algorithms and Lower Bounds

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Explore algorithms and lower bounds for estimating normalizing constants in log-concave distributions, covering annealing, Monte Carlo methods, and Langevin dynamics.
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13 Lesons
26 minutes
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Simons Institute

Insights on Gradient-Based Algorithms in High-Dimensional Learning

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Explore gradient-based algorithms in high-dimensional learning, covering statistical physics solutions for performance analysis in nonconvex settings like spiked mixed matrix-tensor model, perceptron, and phase retrieval.
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29 Lesons
1 hour
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Institute for Pure & Applied Mathematics (IPAM)

Time-Dependent Hamiltonian Simulation of Highly Oscillatory Dynamics - IPAM at UCLA

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Explore highly oscillatory dynamics in quantum systems, focusing on efficient simulation algorithms for time-dependent Hamiltonians with applications in various scientific fields.
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11 Lesons
35 minutes
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