DOCKING,QSAR & PHARMACOPHORE STUDIES
Course Length : Regular 15 Days
Course Start : For Details Call +91 9247716307,
Limited seats per batch
Course Location : Hyderabad, India
Contact Us : Call +91 9247716307
 

Syllabus

 

Basic concepts of molecular modeling and principles of computer-aided drug design  
Molecular mechanics: energy terms, parametrization,
energy minimization
conformational analysis
Quantum Mechanics
protein structure predictions
Molecular dynamic simulations: principle and application
Newton’s equations of motion, ensembles, trajectory
simulated annealing, periodic boundary conditions
Solvent effects
Molecular docking
Active site and ligand representations
ligand-protein interactions
Protein-protein interactions
scoring functions
virtual screening
Chemical databases
protein sequence databases
Quantitative structure-reactivity relationship (QSAR)
3D-QSAR,
de novo ligand design
pharmacophore mapping
ADMET

TEXT & READINGS

(1) Molecular Modeling: Principles and Applications, 2nd Edition, by Andrew R. Leach, Harlow, England, Pearson Education, 2001.
(2) Computational Drug Design: A Guide for Computational and Medicinal Chemists, by David C. Young, John Wiley & Sons, Hoboken, N.J., 2009.
(3) Essentials of Computational Chemistry: Theories and Models, 2nd Edition, by Christopher J Cramer, Chichester, John Wiley & Son, 2004.
(4) Practical Application of Computer-Aided Drug Design, by Paul S. Charifson, New York, Marcel Dekker, 1997.
(5) Guidebook on Molecular Modeling in Drug Design, by Nicholas Claude Cohen, San Diego, Calif., Academic Press, 1996.
(6) Molecular Modelling: Computational Chemistry Demystified, by Peter Bladon, Cambridge, RSC Publishing, 2012.


 

Overview

 
 
 

Eligibility

 
  • Ph.Ds in any science discipline
  • Postgraduates with specialization in any of the areas of molecular biology, genetics, microbiology, structural biology, genetics, chemistry, physics, statistics and biotechnology.
  • B. Pharm, M. Pharm, MBBS, MD, BE/B. Tech, ME/M.Tech etc.
  • Final year students of the above courses as a part of fulfilling their project work.
  • Students looking for Research opportunities abroad.
  • Research Scholars in any areas of life & chemical sciences.
  • Bachelors in Biotechnology, Microbiology, Bioinformatics, Life sciences, Biochemistry, Zoology, Botany and related discipline.
 

Course Goal


 
 
 
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