COMPUTATIONAL METHODS IN PHYSICAL, GEOLOGICAL MODELLING AND DRUG DESIGNING

NATIONAL CENTRE OF EXPERIMENTAL MINERALOGY AND PETROLOGY, UNIVERSITY OF ALLAHABAD

&

THE NATIONAL ACADEMY OF SCIENCES INDIA, (ALLAHABAD CHAPTER), ALLAHABAD

COMPUTATIONAL METHODS IN PHYSICAL, GEOLOGICAL MODELLING AND DRUG DESIGNING

29-09-2011 - 01-10-2011

Organized by

(www.nasi.org.in)

About the workshop

The workshop is to designed that the

participants would spend about 50% of

time in learning from lecturers covering

basic concepts of computational chemistry

with emphasis on drug design and drug

discovery, the other 50% of time they will

acquire hands- on experience on useful

computational chemistry toolsapplied to

drug design and drug discovery, through

elucidation of some case studies.

Topics Covered

·Semi – empirical methods

·Quantum Mechanical (ab initio) Methods

·Molecular Mechanics

·Molecular Dynamics

·Sequence Analysis and Homology modeling

·Molecular Docking

·QSAR

·Free Energy Calculation Method

·Fragment Based Drug Design

·Drug Discovery Case Studies

Registration form