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DAY 1: Detailed program schedule for the Conference ( October 4th )
Detailed program schedule for the Workshop
Offer: 1-3 months of FREE license of CRESSET's CADD (Computer Aided Drug Design) software
DAY 2 (October 5th)
Topic
Ligand based drug design
Cresset introduction and Overview of process of drug discovery
Topic Brief
Ligand centric drug discovery process
Introduction to Cresset tools and their place in drug discovery
Experts
Cresset introduction (Overview of Software categories)
Introduction to Cresset tools and their place in drug discovery
(Discovery scientist)
Overview of the process of drug discovery
Overall drug discovery process. Molecular modelling tools in the drug discovery process.
(Discovery scientist)
Categories of Drug design tools (Structure based and Ligand based)
Overview of various molecular modelling tools available in the market for drug discovery
(Discovery scientist)
Pharmacophore Modelling
Introduction to pharmacophores and its applications
(Discovery scientist)
QSAR analysis-Qualitative and Quantitative, Machine learning algorithms for QSAR
Introduction Different types of QSAR Evolution of QSAR Key applications
(Discovery scientist)
Demonstration on Field Templater and QSAR module in Flare
Example case study demonstration on Pharmacophore modelling and QSAR using Cresset Software
(Application Scientist)
Demonstration on Field Templater and QSAR module in Flare
Example case study demonstration on Pharmacophore modelling and QSAR using Cresset Software
(Application Scientist)
DAY 3 (6th October)
(Structure-based drug design (target-ligand docking))
Molecular Docking And Electrostatic Complementarity
Background science of molecular docking. Different types of docking methods. Science behind electrostatic complementarity module in Flare.
(Application Scientist)
Molecular Dynamics
Background theory molecular dynamics. Introduction to force field, different ensemble, observables from molecular dynamics simulations
(Application Scientist)
Molecular Dynamics
Background theory molecular dynamics. Introduction to force field, different ensemble, observables from molecular dynamics simulations
(Discovery scientist)
Demonstration on Docking EC, MD
Demonstration of docking, EC, and MD using Cresset’s Flare software platform
(Application scientist)
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