| 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 142 (20), 9220-9230, 2020 | 33 | 2020 |
| Relative stability of the S2 isomers of the oxygen evolving complex of photosystem II D Kaur, W Szejgis, J Mao, M Amin, KM Reiss, M Askerka, X Cai, ... Photosynthesis Research 141, 331-341, 2019 | 26 | 2019 |
| 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 | 24 | 2020 |
| Tracing the pathways of waters and protons in photosystem II and cytochrome c oxidase D Kaur, X Cai, U Khaniya, Y Zhang, J Mao, M Mandal, MR Gunner Inorganics 7 (2), 14, 2019 | 21* | 2019 |
| Protein motifs for proton transfers that build the transmembrane proton gradient D Kaur, U Khaniya, Y Zhang, MR Gunner Frontiers in chemistry 9, 660954, 2021 | 18 | 2021 |
| Characterizing the water wire in the Gramicidin channel found by Monte Carlo sampling using continuum electrostatics and in molecular dynamics trajectories with conventional or … Y Zhang, K Haider, D Kaur, VA Ngo, X Cai, J Mao, U Khaniya, X Zhu, ... Journal of Computational Biophysics and Chemistry 20 (02), 111-130, 2021 | 17 | 2021 |
| Identifying the proton loading site cluster in the ba3 cytochrome c oxidase that loads and traps protons X Cai, CY Son, J Mao, D Kaur, Y Zhang, U Khaniya, Q Cui, MR Gunner Biochimica et Biophysica Acta (BBA)-Bioenergetics 1861 (10), 148239, 2020 | 17 | 2020 |
| Characterizing protein protonation microstates using Monte Carlo sampling U Khaniya, J Mao, RJ Wei, MR Gunner The Journal of Physical Chemistry B 126 (13), 2476-2485, 2022 | 13 | 2022 |
| Comparison of proton transfer paths to the QA and QB sites of the Rb. sphaeroides photosynthetic reaction centers RJ Wei, Y Zhang, J Mao, D Kaur, U Khaniya, MR Gunner Photosynthesis Research 152 (2), 153-165, 2022 | 10 | 2022 |
| Tools for analyzing protonation states and for tracing proton transfer pathways with examples from the Rb. sphaeroides photosynthetic reaction centers RJ Wei, U Khaniya, J Mao, J Liu, VS Batista, MR Gunner Photosynthesis research 156 (1), 101-112, 2023 | 2 | 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 |
| Using Monte Carlo microstates to follow proton transport in complex I MDR Uddin, U Khaniya, A Singharoy, C Gupta, M Gunner Biophysical Journal 123 (3), 115a, 2024 | | 2024 |
| Towards a structural and functional analysis of the immunoglobulin-fold proteome. C Tawfeeq, J Song, U Khaniya, T Madej, J Wang, P Youkharibache, ... Advances in Protein Chemistry and Structural Biology 138, 135-178, 2024 | | 2024 |
| Using Protonation Microstates and Hydrogen Bond Networks to Track Proton Transfer Pathways in Complex I U Khaniya City University of New York, 2022 | | 2022 |
| Chemomechanical Coupling of Mitochondrial Complex I C Gupta, U Khaniya, CK Chan, M Gunner, C Chipot, F Dehez, ... Biophysical Journal 116 (3), 155a, 2019 | | 2019 |
| Supporting Information Relative Stability of the S2 isomers of the Oxygen Evolving Complex of Photosystem II D Kaur, W Szejgis, J Mao, M Amin, KM Reiss, M Askerka, X Cai, ... | | |
