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Chitrak Gupta
Chitrak Gupta
Senior Scientist I, Schrodinger Inc
Verified email at schrodinger.com
Title
Cited by
Cited by
Year
CryoFold: Determining protein structures and data-guided ensembles from cryo-EM density maps
M Shekhar, G Terashi, C Gupta, D Sarkar, G Debussche, NJ Sisco, ...
Matter 4 (10), 3195-3216, 2021
34*2021
Charge transfer and chemo-mechanical coupling in respiratory complex I
C Gupta, U Khaniya, CK Chan, F Dehez, M Shekhar, MR Gunner, ...
Journal of the American Chemical Society, 2020
332020
The ugly, bad, and good stories of large-scale biomolecular simulations
C Gupta, D Sarkar, DP Tieleman, A Singharoy
Current Opinion in Structural Biology 73, 102338, 2022
292022
Ions modulate key interactions between pHLIP and lipid membranes
J Westerfield, C Gupta, HL Scott, Y Ye, A Cameron, B Mertz, FN Barrera
Biophysical journal 117 (5), 920-929, 2019
262019
Hydrogen bond network analysis reveals the pathway for the proton transfer in the E-channel of T. thermophilus complex I
U Khaniya, C Gupta, X Cai, J Mao, D Kaur, Y Zhang, A Singharoy, ...
Biochimica Et Biophysica Acta (BBA)-Bioenergetics 1861 (10), 148240, 2020
242020
Cooperative Nonbonded Forces Control Membrane Binding of the pH-Low Insertion Peptide pHLIP
C Gupta, Y Ren, B Mertz
Biophysical journal 115 (12), 2403-2412, 2018
172018
Protonation Enhances the Inherent Helix-Forming Propensity of pHLIP
C Gupta, B Mertz
ACS omega 2 (11), 8536-8542, 2017
172017
Mucin-mimetic glycan arrays integrating machine learning for analyzing receptor pattern recognition by influenza A viruses
TM Lucas, C Gupta, MO Altman, E Sanchez, MR Naticchia, P Gagneux, ...
Chem 7 (12), 3393-3411, 2021
122021
Peptide bond conformation in peptides and proteins probed by dipolar coupling-chemical shift tensor correlation solid-state NMR
D Mukhopadhyay, C Gupta, T Theint, CP Jaroniec
Journal of Magnetic Resonance 297, 152-160, 2018
92018
XFEL and NMR structures of Francisella lipoprotein reveal conformational space of drug target against tularemia
J Zook, M Shekhar, D Hansen, C Conrad, T Grant, C Gupta, T White, ...
Structure 28 (5), 540-547. e3, 2020
62020
Revealing a hidden intermediate of rotatory catalysis with X-ray crystallography and Molecular simulations
M Shekhar, C Gupta, K Suzuki, CK Chan, T Murata, A Singharoy
ACS central science 8 (7), 915-925, 2022
42022
Large-Scale Molecular Dynamics Simulations of Cellular Compartments
E Wilson, J Vant, J Layton, R Boyd, H Lee, M Turilli, B Hernández, ...
Structure and Function of Membrane Proteins, 335-356, 2021
42021
Multidimensional quantitative phenotypic and molecular analysis reveals neomorphic behaviors of p53 missense mutants
A Pal, L Gonzalez-Malerva, S Eaton, C Xu, Y Zhang, D Grief, L Sakala, ...
NPJ Breast Cancer 9 (1), 78, 2023
12023
Poor Person’s pH Simulation of Membrane Proteins
C Gupta, U Khaniya, JW Vant, M Shekhar, J Mao, MR Gunner, ...
Computational Design of Membrane Proteins, 197-217, 2021
12021
In Silico Prediction of the Binding, Folding, Insertion, and Overall Stability of Membrane-Active Peptides
N Frazee, V Burns, C Gupta, B Mertz
Computational Design of Membrane Proteins, 161-182, 2021
12021
Mind reading of the proteins: Deep-learning to forecast molecular dynamics
C Gupta, JK Cava, D Sarkar, E Wilson, J Vant, S Murray, A Singharoy, ...
bioRxiv, 2020.07. 28.225490, 2020
12020
Sodium Ions Hinder the Membrane Insertion of the pH-Low Insertion Peptide
JM Westerfield, C Gupta, HL Scott, Y Ye, A Cameron, B Mertz, FN Barrera
Biophysical Journal 118 (3), 367a, 2020
12020
Molecular Dynamics Flexible Fitting: All You Want to Know About Resolution Exchange
JW Vant, D Sarkar, C Gupta, MS Shekhar, S Mittal, A Singharoy
Protein Structure Prediction, 301-315, 2020
12020
Disordered regions of respiratory supercomplexes offer new pathways for substrate channeling in crowded membranes
CK Chan, JT Nguyen, C Gupta, A Perez, E Mileykovskaya, E Tajkhorshid, ...
Biophysical Journal 122 (3), 302a, 2023
2023
Computational study of the thermodynamic process of the binding and folding of pHLIP
J Layton, A Clark, C Gupta, B Mertz
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
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