Molecular Docking Courses and Certifications

Protein Annotations

2 reviews

Learn protein annotation techniques including molecular docking, function identification, structure analysis, and molecular dynamics simulations using tools like Autodock, Pymol, and Gromacs.

• YouTube
• 3 hours 30 minutes
• On-Demand
• Free Video

Protein Analysis

1 review

Learn essential protein analysis techniques including homology modeling, molecular docking, structure prediction, and interaction analysis using popular tools like Modeller, Autodock Vina, and PyMol.

• YouTube
• 2 hours 30 minutes
• On-Demand
• Free Video

MolSoft Molecules in Silico

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

Explore ICM 3D Ligand Editor for advanced ligand docking, editing, and optimization techniques in molecular modeling and drug discovery.

• YouTube
• 1 hour
• On-Demand
• Free Video

Bioinformatics With BB

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

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.

• YouTube
• 28 minutes
• On-Demand
• Free Video

Bioinformatics With BB

Molecular Docking and Virtual Screening with AutoDock VINA - Bioinformatics Tutorial

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.

• YouTube
• 25 minutes
• On-Demand
• Free Video

Bioinformatics With BB

Molecular Docking Analysis - Autodock Results and Visualization

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.

• YouTube
• 25 minutes
• On-Demand
• Free Video

Bioinformatics With BB

Molecular Docking for Beginners - Autodock Full Tutorial

Guía paso a paso sobre acoplamiento molecular proteína-ligando utilizando AutoDock. Aprenda a investigar interacciones a nivel atómico para comprender mecanismos bioquímicos.

• YouTube
• 35 minutes
• On-Demand
• Free Video

Fields Institute

Cyclica Recursion - Innovations in Drug Discovery

Explore cyclic recursion in machine learning for drug discovery, featuring innovative approaches and industry applications in pharmaceutical research.

• YouTube
• 21 minutes
• On-Demand
• Free Video

Valence Labs

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

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.

• YouTube
• 55 minutes
• On-Demand
• Free Video

Valence Labs

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms

Explore machine learning-accelerated molecular docking using equivariant scalar fields and fast Fourier transforms for efficient drug discovery and virtual screening.

• YouTube
• 38 minutes
• On-Demand
• Free Video

Valence Labs

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

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.

• YouTube
• 57 minutes
• On-Demand
• Free Video

Valence Labs

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

Explore ML-based docking techniques for predicting binding affinity in drug discovery, featuring insights from experts Stephan Thaler and Cristian Gabellini.

• YouTube
• 1 hour 10 minutes
• On-Demand
• Free Video

Valence Labs

Binding Affinity Prediction with ML-Based Docking - Lab 2

Explore ML-based docking for binding affinity prediction in drug discovery, featuring insights from experts Stephan Thaler and Cristian Gabellini.

• YouTube
• 26 minutes
• On-Demand
• Free Video

Valence Labs

Virtual Screening Techniques for Drug Discovery - Lab 1

Explore virtual screening techniques for drug discovery through hands-on lab exercises guided by industry experts.

• YouTube
• 1 hour 23 minutes
• On-Demand
• Free Video

Valence Labs

Virtual Screening Explanation - Lab 1

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.

• YouTube
• 26 minutes
• On-Demand
• Free Video