Photosystem II oxygen-evolving complex photoassembly displays an inverse H/D solvent isotope effect under chloride-limiting conditions DJ Vinyard, SL Badshah, MR Riggio, D Kaur, AR Fanguy, MR Gunner Proceedings of the National Academy of Sciences 116 (38), 18917-18922, 2019 | 50 | 2019 |
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 | 37 | 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 | 27 | 2019 |
Thermodynamics of the S 2-to-S 3 state transition of the oxygen-evolving complex of photosystem II M Amin, D Kaur, KR Yang, J Wang, Z Mohamed, GW Brudvig, MR Gunner, ... Physical Chemistry Chemical Physics 21 (37), 20840-20848, 2019 | 27 | 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 | 26 | 2020 |
A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ... Journal of computer-aided molecular design 31, 29-44, 2017 | 23 | 2017 |
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 * Divya Kaur 1,2,†, Xiuhong Cai 1,3,†, Umesh Khaniya 1,3, Yingying Zhang 1,3 ... 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 |
Tracing the pathways of waters and protons in photosystem II and cytochrome c oxidase, Inorganics. 7 (2019) 14 D Kaur, X Cai, U Khaniya, Y Zhang, J Mao, M Mandal, MR Gunner | 7 | |
Identification of a Na+-Binding Site near the Oxygen-Evolving Complex of Spinach Photosystem II J Wang, JM Perez-Cruet, HL Huang, K Reiss, CJ Gisriel, G Banerjee, ... Biochemistry 59 (30), 2823-2831, 2020 | 5 | 2020 |
Toward understanding the S2-S3 transition in the Kok cycle of Photosystem II: Lessons from Sr-substituted structure M Amin, D Kaur, MR Gunner, G Brudvig Inorganic Chemistry Communications 133, 108890, 2021 | 4 | 2021 |
Gordon research conference 2019: From the biophysics of natural and artificial photosynthesis to bioenergy conversion D Kaur, C Gisriel, R Burnap, P Fromme, G Govindjee Current Plant Biology 22, 100129, 2020 | 3 | 2020 |
Occupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations D Kaur, K Reiss, J Wang, VS Batista, GW Brudvig, MR Gunner The Journal of Physical Chemistry B 128 (10), 2236-2248, 2024 | 2 | 2024 |
Chlorophylls as primary electron acceptors in reaction centers: a blueprint for highly efficient charge separation in bio-inspired artificial photosynthetic systems M Gorka, P Landry, E Gruszecki, A Malnati, D Kaur, A van der Est, ... Photosynthesis, 197-237, 2023 | 2 | 2023 |
Proton egress pathway during the S1–S2 transition of the Oxygen Evolving Complex of Photosystem II D Kaur, Y Zhang, KM Reiss, M Mandal, GW Brudvig, VS Batista, ... bioRxiv, 2021.01. 29.428861, 2021 | 1 | 2021 |
Chlorophylls as primary electron acceptors in photosynthetic reaction centers P Landry, MJ Gorka, E Gruszecki, A Malnati, D Kaur, A van der Est, ... Biophysical Journal 123 (3), 247a, 2024 | | 2024 |
Mapping the Oxygens in the Oxygen-Evolving Complex of Photosystem II by Their Nucleophilicity Using Quantum Descriptors M Amin, D Kaur, GW Brudvig, BR Brooks Journal of Chemical Theory and Computation 20 (3), 1414-1422, 2024 | | 2024 |