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#Structure-Based Drug Design

Showing: 13 courses
MolSoft Molecules in Silico

Computer-Driven Discovery of GPCR Ligands with New Chemotypes and Functional Selectivity

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Explore computer-driven discovery of GPCR ligands, focusing on new chemotypes and functional selectivity. Learn structure-based techniques for rational ligand design and virtual screening.
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20 Lesons
32 minutes
On-Demand
Free-Video
MolSoft Molecules in Silico

Ligand Docking in ICM: Small Molecules, Fragments, Covalent and Template-Based Methods

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Master ligand docking techniques in ICM-Pro, from pocket identification to covalent docking, enhancing your molecular modeling skills for drug discovery and design.
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6 Lesons
1 hour 2 minutes
On-Demand
Free-Video
Applied Algebraic Topology Network

Anthony Bak - Spaces of Shapes Persistent Homology for Drug Discovery

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Explore persistent homology in drug discovery, focusing on structure-based design, chemical compound analysis, and machine learning applications for virtual screening and classification.
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21 Lesons
40 minutes
On-Demand
Free-Video
Bioinformatics With BB

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

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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
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
Fields Institute

Cyclica Recursion - Innovations in Drug Discovery

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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

Binding Affinity Prediction with ML-Based Docking - Lab 2

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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

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

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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
Valence Labs

Lab 3 - De Novo Generation Explanation

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Explore de novo molecule generation techniques with experts Emmanuel Bengio and Julien Roy in this recorded session from the 2024 Machine Learning for Drug Discovery Summer School.
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1 Lesons
1 hour 28 minutes
On-Demand
Free-Video
Valence Labs

Machine Learning in Structure-Based Drug Discovery - Day 2

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Explore machine learning applications in structure-based drug discovery, focusing on innovative techniques and their impact on pharmaceutical research.
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1 Lesons
58 minutes
On-Demand
Free-Video
Toronto Machine Learning Series (TMLS)

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

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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

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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

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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