| Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge TD Bergazin, N Tielker, Y Zhang, J Mao, MR Gunner, K Francisco, ... Journal of computer-aided molecular design 35 (7), 771-802, 2021 | 52 | 2021 |
| Proton exit pathways surrounding the oxygen evolving complex of photosystem II D Kaur, Y Zhang, KM Reiss, M Mandal, GW Brudvig, VS Batista, ... Biochimica et Biophysica Acta (BBA)-Bioenergetics 1862 (8), 148446, 2021 | 35 | 2021 |
| 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 |
| 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 |
| 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 | 17 | 2019 |
| 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 |
| Monte Carlo, Molecular Dynamics and Network Analysis of the Gramicidin Water Channel and Proton Transfer Pathways to QB in Photosynthetic Reaction Centers Y Zhang City University of New York, 2021 | | 2021 |
| 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, ... | | |
