
Chitrak Gupta
I am a computational chemist with a strong interest in fragment-based drug discovery (FBDD). I am combining my... | Hyderabad, Hyderabad, India
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Chitrak Gupta’s Emails ch****@sc****.com
Chitrak Gupta’s Phone Numbers 1503299****
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Chitrak Gupta’s Location Hyderabad, Hyderabad, India
Chitrak Gupta’s Expertise I am a computational chemist with a strong interest in fragment-based drug discovery (FBDD). I am combining my experiences in molecular modeling, machine learning, and biochemistry to develop computational pipelines to screen drug canddiates during early-stage drug discovery. My PhD research involved modeling the interactions of a pH-sensitive peptide with the cell membrane, proposed to be a cancer-targeting agent. During my postdoc, I used large-scale simulations to elucidate the mechanisms of charge transfer within mitochondria. Furthermore, I used machine learning to identify the patterns of interaction that viruses exploit to gain entry into host cells.
Chitrak Gupta’s Current Industry Schrodinger
Chitrak
Gupta’s Prior Industry
Schrodinger
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The Ohio State University
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West Virginia University
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Arizona State University
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Work Experience

Schrodinger
Senior Scientist I
Sat Jan 01 2022 00:00:00 GMT+0000 (Coordinated Universal Time) — Present
Arizona State University
Postdoctoral Scholar
Wed Aug 01 2018 00:00:00 GMT+0000 (Coordinated Universal Time) — Wed Dec 01 2021 00:00:00 GMT+0000 (Coordinated Universal Time)
West Virginia University
Graduate Research Assistant
Thu Jan 01 2015 00:00:00 GMT+0000 (Coordinated Universal Time) — Sun Jul 01 2018 00:00:00 GMT+0000 (Coordinated Universal Time)
West Virginia University
Graduate Teaching Assistant
Fri Aug 01 2014 00:00:00 GMT+0000 (Coordinated Universal Time) — Mon Dec 01 2014 00:00:00 GMT+0000 (Coordinated Universal Time)
The Ohio State University
Graduate Teaching Assistant
Tue Sep 01 2009 00:00:00 GMT+0000 (Coordinated Universal Time) — Sun Dec 01 2013 00:00:00 GMT+0000 (Coordinated Universal Time)
Schrodinger
Senior Scientist I
— Present