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

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

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

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

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

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

How Molsoft Scarab Helped Fight COVID-19 in the UK

Explore how Molsoft Scarab contributed to COVID-19 research in the UK, presented by Oxford's Dr. Brian Marsden at MolSoft's User Group Meeting.

• YouTube
• 30 minutes
• 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

Design and Development of Intracellular Paired Agent Imaging Molecules for Quantitative Assessment of Cancer Drug Target Availability

Explore intracellular paired agent imaging for assessing cancer drug target availability in live cells and tissues through innovative molecular design.

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

Chemically Probing the Mechanism of KATP Channels

Explore the mechanism of KATP channels through chemical probing, focusing on structure, gating, and the role of palmitoylation in channel opening.

• YouTube
• 28 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