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#Molecular Docking

Showing: 19 courses

Protein Annotations

2 rewiews
Learn protein annotation techniques including molecular docking, function identification, structure analysis, and molecular dynamics simulations using tools like Autodock, Pymol, and Gromacs.
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8 Lesons
3 hours 30 minutes
On-Demand
Free-Video

Protein Analysis

1 rewiews
Learn essential protein analysis techniques including homology modeling, molecular docking, structure prediction, and interaction analysis using popular tools like Modeller, Autodock Vina, and PyMol.
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8 Lesons
2 hours 30 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

ICM 3D Ligand Editor - Ligand Docking, Editing and Optimization

0 rewiews
Explore ICM 3D Ligand Editor for advanced ligand docking, editing, and optimization techniques in molecular modeling and drug discovery.
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1 Lesons
1 hour
On-Demand
Free-Video
Bioinformatics With BB

Molecular Docking with AutoDock VINA - Script-Based Method for Multiple Ligands

0 rewiews
Learn script-based molecular docking with AutoDock Vina for virtual screening of multiple ligands. Explore conformational space, calculate binding energies, and identify potential lead compounds efficiently.
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6 Lesons
28 minutes
On-Demand
Free-Video
Bioinformatics With BB

Molecular Docking and Virtual Screening with AutoDock VINA - Bioinformatics Tutorial

0 rewiews
Learn molecular docking with AutoDock VINA for virtual screening in drug discovery. Explore ligand-protein interactions, scoring functions, and post-processing techniques to identify potential lead compounds.
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8 Lesons
25 minutes
On-Demand
Free-Video
Bioinformatics With BB

Molecular Docking Analysis - Autodock Results and Visualization

0 rewiews
Learn to analyze molecular docking results using Autodock, extract key scores, and generate 2D/3D visualizations with tools like Pymol and LigPlot for effective protein-ligand interaction studies.
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1 Lesons
25 minutes
On-Demand
Free-Video
Bioinformatics With BB

Molecular Docking for Beginners - Autodock Full Tutorial

0 rewiews
Guía paso a paso sobre acoplamiento molecular proteína-ligando utilizando AutoDock. Aprenda a investigar interacciones a nivel atómico para comprender mecanismos bioquímicos.
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1 Lesons
35 minutes
On-Demand
Free-Video
Fields Institute

Cyclica Recursion - Innovations in Drug Discovery

0 rewiews
Explore cyclic recursion in machine learning for drug discovery, featuring innovative approaches and industry applications in pharmaceutical research.
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1 Lesons
21 minutes
On-Demand
Free-Video
Valence Labs

Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design

0 rewiews
Explore advanced AI techniques for protein-ligand binding structure generation and binding site design, improving drug discovery and molecular interaction modeling.
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12 Lesons
1 hour
On-Demand
Free-Video
Valence Labs

Binding Affinity Prediction with ML-Based Docking - Lab 2

0 rewiews
Explore ML-based docking for binding affinity prediction in drug discovery, featuring insights from experts Stephan Thaler and Cristian Gabellini.
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1 Lesons
26 minutes
On-Demand
Free-Video
Valence Labs

Virtual Screening Techniques for Drug Discovery - Lab 1

0 rewiews
Explore virtual screening techniques for drug discovery through hands-on lab exercises guided by industry experts.
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1 Lesons
1 hour 23 minutes
On-Demand
Free-Video
Valence Labs

Virtual Screening Explanation - Lab 1

0 rewiews
Explore virtual screening techniques for drug discovery with experts Lu Zhu and Cas Wognum in this recorded session from the 2024 ML for Drug Discovery Summer School.
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1 Lesons
26 minutes
On-Demand
Free-Video
Valence Labs

DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

0 rewiews
Explore DiffDock, a novel diffusion-based approach to molecular docking that outperforms traditional and deep learning methods in predicting ligand-protein binding structures for drug design.
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11 Lesons
57 minutes
On-Demand
Free-Video
Valence Labs

MFBind - A Multi-Fidelity Approach for Evaluating Drugs in Generative Modeling

0 rewiews
Explore MFBind, a multi-fidelity approach integrating docking and binding free energy simulations for improved drug discovery generative modeling. Learn its advantages over current methods.
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6 Lesons
55 minutes
On-Demand
Free-Video
Valence Labs

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms

0 rewiews
Explore machine learning-accelerated molecular docking using equivariant scalar fields and fast Fourier transforms for efficient drug discovery and virtual screening.
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7 Lesons
38 minutes
On-Demand
Free-Video
Valence Labs

Binding Affinity Prediction with Machine Learning-Based Docking - Lab 2

0 rewiews
Explore ML-based docking techniques for predicting binding affinity in drug discovery, featuring insights from experts Stephan Thaler and Cristian Gabellini.
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1 Lesons
1 hour 10 minutes
On-Demand
Free-Video
Toronto Machine Learning Series (TMLS)

AI-Aided Design of Novel Inhibitors Against SARS-CoV-2

0 rewiews
Explore AI-driven drug design for SARS-CoV-2, focusing on 3CLpro inhibitors. Learn about deep Q-learning networks, fragment-based design, and structure-based optimization for developing potential lead compounds.
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1 Lesons
36 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Preparing Chemical Libraries for Virtual Ligand Screening and Ligand Docking

0 rewiews
Master essential techniques for preparing chemical libraries and conducting virtual ligand screening using ICM-Pro, focusing on efficient ligand docking methodologies and computational analysis.
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1 Lesons
1 hour 3 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Structure-Based Virtual Ligand Screening with ICM-Pro

0 rewiews
Master structure-based virtual ligand screening techniques using ICM-Pro software, from project setup and file preparation to running screens, analyzing results, and creating hitlists.
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6 Lesons
1 hour 7 minutes
On-Demand
Free-Video