Activities P.G. Department of Chemistry

Department Activities

PG Department of Chemistry organized a Workshop on Schrodinger software on 8th to -9th August 2022


 

Workshop on Schrödinger software

PG Department of Chemistry organized a Workshop on Schrödinger software on 8th to -9th August 2022. The workshop was attended by all Faculty members of chemistry Department. The main aim of this workshop was to provide hands-on training of computer aided drug design (CADD). Participants also got practical experience and in-person guidance to use the Maestro, covering organic molecule sketching, protein selection, preparation, and screening for hit identification against different therapeutic targets. During this workshop the following Speaker provided hands on training for Schrödinger software.

Dr. PrajwalNandekar, who received his Master's and Ph.D. from the National Institute of Pharmaceutical Education and Research (NIPER - Mohali) in 2010 and 2015, respectively. He is a recipient of the prestigious DAAD fellowship to perform research at Heidelberg University. Prior to joining Scrodrodinger as a Senior Scientist, he has four years of postdoctoral research experience in using various types of molecular modeling techniques to understand biological processes. His research interests are computer-aided drug design, quantum chemistry, and multi-scale molecular dynamics simulations.

Dr. KoushikKasavajhala is currently working as a Senior Scientist I at Schrodinger GmbH at Bangalore. He received his Ph.D. in Chemistry in 2020 from Stony Brook University, New York, USA. Prior to that, he received his Masters by Research degree in Bioinformatics from IIITHyderabad, Hyderabad, India. He holds 8 publications to date with 2 more in preparation. His work has been cited >3500 times. He has presented in numerous conferences and workshops. His research interests include developing enhanced sampling methods and force fields for bio molecular simulations and designing antibodies and drug molecules.

The faculty members learned hands on training on molecular docking, Ligand Preparation and Protein preparation. The workshop helped the participants in learning the drug discovery principles. The workshop included a brief recapitulation of theory for Molecular Mechanics, Molecular Docking Analysis, Molecular Dynamics, QSAR, and other techniques via case studies on real-time industrial projects

 

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