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 | 38* | 2021 |
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 | 36 | 2022 |
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 | 36 | 2020 |
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 | 28 | 2020 |
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 | 27 | 2019 |
Protonation Enhances the Inherent Helix-Forming Propensity of pHLIP C Gupta, B Mertz ACS omega 2 (11), 8536-8542, 2017 | 19 | 2017 |
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 | 18 | 2018 |
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 | 16 | 2021 |
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 | 9 | 2020 |
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 | 9 | 2018 |
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 | 6 | 2022 |
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 | 5 | 2021 |
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 | 1 | 2023 |
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 | 1 | 2023 |
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 | 1 | 2021 |
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 | 1 | 2021 |
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 | 1 | 2020 |
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 | 1 | 2020 |
Chemomechanical Coupling of Mitochondrial Complex I C Gupta, U Khaniya, CK Chan, M Gunner, C Chipot, F Dehez, ... Biophysical Journal 116 (3), 155a, 2019 | 1 | 2019 |
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 |