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Citations per year
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Cited by
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Since 2019
Citations
86
84
h-index
3
3
i10-index
3
3
0
26
13
2018
2019
2020
2021
2022
2023
2024
1
17
26
25
15
Public access
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3 articles
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Aayush Gupta, PhD
Exscientia
Verified email at exscientia.ai -
Homepage
Computational Chemist
Drug Discovery
Protein Biophysics
Quantum Chemist
Articles
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Year
Profiling SARS-CoV-2 Main Protease (M
PRO
) Binding to Repurposed Drugs Using Molecular Dynamics Simulations in Classical and Neural Network-Trained …
A Gupta, HX Zhou
ACS combinatorial science 22 (12), 826-832
, 2020
34
2020
Artificial intelligence guided conformational mining of intrinsically disordered proteins
A Gupta, S Dey, A Hicks, HX Zhou
Communications biology 5 (1), 610
, 2022
25
2022
Machine learning-enabled pipeline for large-scale virtual drug screening
A Gupta, HX Zhou
Journal of chemical information and modeling 61 (9), 4236-4244
, 2021
25
2021
Profiling molecular simulations of SARS-CoV-2 main protease (Mpro) binding to repurposed drugs using neural network force fields
A Gupta
1
2020
DFT evidence of unforeseen bending in linearly fused polycyclic rings of hexasilabenzenoids
A Gupta, JS Arora
Computational and Theoretical Chemistry 1099, 87-91
, 2017
1
2017
Machine Learning Methods for Advancing Computational Chemistry
A Gupta, HX Zhou
University of Illinois at Chicago
, 2022
2022
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