Prof. Jack A. Tuszynski

Lecture 1

a) Evolution Of Drug Design & Development Overview

b) Overview Of The Computational Tools and Molecular Modelling Principles

Lecture 2:

a) Data Sources, Databases, Data Mining

b) Bioinformatics & Protein Structure Prediction

Lecture 3:

a) Force Fields and Molecular Dynamics Simulations

b) Protein-Ligand Interactions and Docking Simulations

Lecture 4:

a) Ligand-Based Screening

b) Pharmacophore Modeling

Lecture 5:

a) Quantitative Structure–Activity Relationship (QSAR)

b) Pharmacokinetic Modeling

Lecture 6:

An Example of the Journey from In Silico Modeling to In Vivo testing - The Story of Colchicine and Its Derivatives