MolSoft Molecules in Silico Courses

Structure-Based Virtual Ligand Screening with ICM-Pro

2 ratings

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.

• YouTube
• 1 hour 7 minutes
• Self-Paced
• Free Video

Preparing Chemical Libraries for Virtual Ligand Screening and Ligand Docking

Master essential techniques for preparing chemical libraries and conducting virtual ligand screening using ICM-Pro, focusing on efficient ligand docking methodologies and computational analysis.

• YouTube
• 1 hour 3 minutes
• Self-Paced
• Free Video

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

Master ligand docking techniques in ICM-Pro, from pocket identification to covalent docking, enhancing your molecular modeling skills for drug discovery and design.

• YouTube
• 1 hour 2 minutes
• Self-Paced
• Free Video

Chemical Torsion Analysis in ICM-Pro Desktop Modeling Software

Explore chemical torsion analysis techniques in ICM-Pro Desktop Modeling Software, including GCNN-STP and GINGER conformer generator methods.

• YouTube
• 10 minutes
• Self-Paced
• Free Video

An Introduction to the ICM-Pro Graphical User Interface

Explore the ICM-Pro Desktop Modeling Software interface, learning to manipulate molecular structures, create selections, display surfaces, work with electron density, and use homology modeling to fill protein chain gaps.

• YouTube
• 16 minutes
• Self-Paced
• Free Video

Molecular Dynamics in ICM Pro - Enhancing Virtual Screening Hits

Discover how to enhance virtual screening hitlists using OpenMM Molecular Dynamics within MolSoft's ICM-Pro software for improved drug discovery outcomes.

• YouTube
• 12 minutes
• Self-Paced
• Free Video

Protein Structure Search by Sequence, Fold and Pocket Pharmacophore Similarity

Discover how to search protein structures in PDB using sequence, fold, and pocket pharmacophore similarity with MolSoft's ICM-Pro software tools.

• YouTube
• 12 minutes
• Self-Paced
• Free Video

Induced Fit Docking and Screening in ICM-Pro

Master flexible receptor docking techniques and induced fit methodologies using ICM-Pro software for advanced molecular modeling and drug discovery applications.

• YouTube
• 55 minutes
• Self-Paced
• Free Video

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
• Self-Paced
• Free Video

Mining in the Ultra-Large Library SAVI with Molsoft Tools

Explore mining techniques in the ultra-large SAVI library using MolSoft tools, enhancing drug discovery and molecular analysis capabilities.

• YouTube
• 28 minutes
• Self-Paced
• Free Video

Highlights of Recent ICM Developments: GPU Acceleration, Applications, and More

Explore recent ICM developments, including GPU acceleration and applications. Discover advancements in molecular modeling, docking, and AI tools for computational chemistry.

• YouTube
• 25 minutes
• Self-Paced
• Free Video

Computational Approaches and Methodologies in Proximity Induced Pharmacology

Explore computational approaches in proximity-induced pharmacology, focusing on PROTACS, structural analysis, and strategies for optimizing PROTAC screening and predicting activity.

• YouTube
• 22 minutes
• Self-Paced
• Free Video

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

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.

• YouTube
• 32 minutes
• Self-Paced
• Free Video

New Technologies in MolSoft ICM: Neural Networks and Beyond

Explore cutting-edge neural networks and advanced technologies in molecular modeling with MolSoft ICM, enhancing your computational chemistry capabilities.

• YouTube
• 30 minutes
• Self-Paced
• Free Video

Peptide Modeling in MolSoft ICM-Pro Interactive Ligand Editor

Master peptide modeling in MolSoft ICM-Pro with sequence-level editing, refinement techniques, and stapling methods for optimized molecular structures.

• YouTube
• 12 minutes
• Self-Paced
• Free Video