Soumendranath Bhakat
Scientist at Washington University in St. Louis
Missouri, United States
Summary
👤
Senior🎓
Top SchoolSoumendranath Bhakat is a computational scientist with 8 years of experience at the intersection of generative AI, machine learning and physics-based molecular simulation, currently applying GenAI to antibiotic discovery at Phare Bio and founding AlloTec Bio to commercialize hybrid AI–simulation methods. His work spans enhanced sampling, Markov state models, free-energy calculations and binder/antibody design, and he has a track record of integrating AlphaFold with adaptive sampling to reveal cryptic pockets and allosteric mechanisms for drug discovery. He has led projects that translated mechanistic simulation insights into actionable hotspots for first-in-class small-molecule discovery and vaccine/binder design, and he frequently combines dimensionality reduction and time-series analysis to extract kinetics from large MD datasets. Based in Missouri, he brings entrepreneurial drive alongside deep academic training (PhD in Biophysical Chemistry) and a habit of cross-pollinating ideas across AI, software design and molecular biophysics to open up previously “undruggable” targets.
8 years of coding experience
8 years of employment as a software developer
University of Pennsylvania School of MedicineB.Pharm, Pharmaceutical Sciences, B.Pharm, Pharmaceutical Sciences at Birla Institute of TechnologyBirbhum Zilla SchoolDoctor of Philosophy - PhD, Biophysical Chemistry, Doctor of Philosophy - PhD, Biophysical Chemistry at Lund UniversityWashington University in St. LouisMasters in Pharmaceutical Chemistry, Computational Chemistry, Summa Cum Laude, Masters in Pharmaceutical Chemistry, Computational Chemistry, Summa Cum Laude at University of KwaZulu-Natal
English, Bengali, Hindi
Stackoverflow
1reputation
0reached
0answers
0questions
Github Skills (83)
python10
cheminformatics10
molecular-simulation10
rdkit10
dynamics10
simulations9
molecular-dynamics-simulation9
pdb-files9
science9
computational-chemistry9
pdb9
deep-learning9
folding9
simulation9
pytorch9
Programming languages (6)
Github contributions (5)
sbhakat/Plasmepsin-bace
Aug 2020 - Apr 2022
Contributions:45 commits, 43 pushes, 1 branch in 1 year 7 months
sbhakat/BPTI-TICA-waterdynamics
Nov 2017 - Nov 2020
Contributions:56 pushes, 2 branches in 3 years
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