11 Dec 2013

Workshop on Recent Advances in Computational Methods in Computational Methods in Drug Discovery

Jawaharlal Nehru Institute of Advanced Studies (JNIAS), Hyderabad & SCHRODINGER, Bangalore

Workshop on Recent Advances in Computational Methods in Computational Methods in Drug Discovery

17-18 January 2014

Jointly Organized:


Jawaharlal Nehru Institute of Advanced Studies (JNIAS), Hyderabad has been established by Dr. D. Swaminadhan Research Foundation (DSRF), Hyderabad as a Research and Educational Institution with a view to contribute in developing advanced technologies and build ‘core competence’ in specific areas. The activities of JNIAS involves: Education, Research Training and Consultancy in the fields of Sciences, Technologies, Humanities and Social Sciences. It aims to blossom into an Advanced Institute of education and research with a reservoir of expertise and experience in the relevant fields and the necessary capability to harness multi-disciplinary research and studies.

JNIAS is recognized by University Grants Commission (UGC) and included under section 2(f) and 12(B) of the UGC Act, 1956. JNIAS has been recognized as an Advanced Research Institute by Jawaharlal Nehru Technological University Hyderabad (JNTUH), Hyderabad and Jawaharlal Nehru Technological University Anantapur (JNTUA), for offering Ph.D., P.G M.Phil, P.G Diploma and Training Programmes in Sciences and Engineering & Technology.


The Schrödinger Suite of software is state-of-the-art software in a molecular modeling platform for use in chemical, pharmaceutical, biotechnology, and materials science research. This software can be used for macromolecular modeling and simulations including protein structure modeling, computational docking and drug design, drug lead discovery or optimization, and quantum chemistry. Today, the predictive power of Schrödinger's software allows scientists to accelerate their research and development activities, reduce research costs, and make novel discoveries that might otherwise not be possible.

ABOUT THE WORKSHOP: The workshop on “Recent Advances in Computational Methods in Drug Discovery” focuses on providing training on some of the recent advanced methods in the computational drug design like Induced fit Docking, GPCR structure prediction, pharmacophore modeling, QSAR etc. and computational biologics design methods including protein-protein docking, antibody modeling, cysteine scanning etc. The content of this workshop is intended to be useful for all researchers hoping to do computer -aided drug design and computational biology work. The approach will be introduction about the topic followed by hands-on session on any important drug target by distinguished scientists from Schrodinger Inc

Day 1: Modules

·         Receptor based drug designing
·         Homology Modeling of GPCR proteins
·         Identification and evaluation of Binding pockets in a protein
·         Recent Developments in Docking Scoring Functions

Day 2: Modules

·         Ligand based methods in Drug discovery
·         Pharmacophore modelling and virtual screening of Anti-cancer compounds
·         Prediction of ADME properties for a given set of compounds
·         Methods in QSAR modeling

Registrations Information and Benefits:
1). Delegates from Industries and Faculty: Rs. 2,500 per delegate (Non-Refundable)
2). Students: 1500 (Note: Only those Students who have ID cards for the current year from relevant Colleges)
3). Spot Registration is available for all on payment of extra Rs. 1000
4). Certificate will be issued for all the participants
5). Accommodation for outstation Participant can be arranged on payment basis


Mr. M. Asimuddin
Mob: 7893203414
Ms. Archana
040- 27541551

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