Teaching Material
Molecular modeling & Computer-aided Drug Design Lectures (Presentations and Demo)
Molecular modeling & Computer-aided Drug Design Lectures (Presentations and Demo)
Maestro GUI: Sketching, molecular visualization, build/edit molecule
Maestro GUI: Sketching, molecular visualization, build/edit molecule
Small molecules structural databases
Small molecules structural databases
Basics of Protein Homology modeling
Basics of Protein Homology modeling
Demo of Protein Homology modeling
Demo of Protein Homology modeling
Basics of Binding site Identification
Basics of Binding site Identification
Demo of Binding site Identification
Demo of Binding site Identification
Structure-based Virtual screening to prioritizing the molecules
Structure-based Virtual screening to prioritizing the molecules
De-novo drug design, Reaction based enumeration, combinatorial library design, Bioisosteric modification, Shape-based screen, Core hopping, PK properties, Ligand Designer
Structure-based Virtual screening - Basics and Demo of Molecular Docking
Structure-based Virtual screening - Basics and Demo of Molecular Docking
Induced-fit docking (Flexible Receptor Docking)
Induced-fit docking (Flexible Receptor Docking)
Protein Homology modeling - Basics and Demo
Protein Homology modeling - Basics and Demo
Molecular dynamics simulations - Basics and Demo on Desmond
Molecular dynamics simulations - Basics and Demo on Desmond
Schrodinger software tutorials
Schrodinger software tutorials
Maestro visualizer Tutorial
Maestro visualizer Tutorial
Ligand preparation: LigPrep Tutorial
Ligand preparation: LigPrep Tutorial
Protein Preparation Wizard Tutorial
Protein Preparation Wizard Tutorial
Receptor Grid Generation Tutorial
Receptor Grid Generation Tutorial
Molecular docking SP Tutorial
Molecular docking SP Tutorial
Molecular Docking Analysis Tutorial
Molecular Docking Analysis Tutorial
Molecular docking XP Analysis Tutorial
Molecular docking XP Analysis Tutorial
Prime Protein homology Modeling Tutorial
Prime Protein homology Modeling Tutorial
Phase Pharmacophore and Database screening Tutorial
Phase Pharmacophore and Database screening Tutorial
Field-based / Atom-based 3D-QSAR Tutorial
Field-based / Atom-based 3D-QSAR Tutorial
Desmond MD simulation and Analysis Tutorial
Desmond MD simulation and Analysis Tutorial
De-Novo Fragment based Drug Design Tutorial
De-Novo Fragment based Drug Design Tutorial