| Assessing lysine and cysteine reactivities for designing targeted covalent kinase inhibitors R Liu, Z Yue, CC Tsai, J Shen Journal of the American Chemical Society 141 (16), 6553-6560, 2019 | 88 | 2019 |
| Introducing titratable water to all-atom molecular dynamics at constant pH W Chen, JA Wallace, Z Yue, JK Shen Biophysical journal 105 (4), L15-L17, 2013 | 80 | 2013 |
| Dynamic Protonation Dramatically Affects the Membrane Permeability of Drug-like Molecules Z Yue, C Li, GA Voth, JMJ Swanson Journal of the American Chemical Society 141 (34), 13421-13433, 2019 | 60 | 2019 |
| Constant pH molecular dynamics reveals how proton release drives the conformational transition of a transmembrane efflux pump Z Yue, W Chen, HI Zgurskaya, J Shen Journal of chemical theory and computation 13 (12), 6405-6414, 2017 | 50 | 2017 |
| Predicting catalytic proton donors and nucleophiles in enzymes: How adding dynamics helps elucidate the structure–function relationships Y Huang, Z Yue, CC Tsai, JA Henderson, J Shen The journal of physical chemistry letters 9 (6), 1179-1184, 2018 | 36 | 2018 |
| Biomacromolecular affinity: Interactions between lysozyme and regioselectively sulfated chitosan L Yuan, Z Yue, H Chen, H Huang, T Zhao Colloids and Surfaces B: Biointerfaces 73 (2), 346-350, 2009 | 35 | 2009 |
| How Electrostatic Coupling Enables Conformational Plasticity in a Tyrosine Kinase CC Tsai, Z Yue, J Shen Journal of the American Chemical Society 141 (38), 15092-15101, 2019 | 30 | 2019 |
| Ligand-induced allostery in the interaction of the Pseudomonas aeruginosa heme binding protein with heme oxygenase DJ Deredge, W Huang, C Hui, H Matsumura, Z Yue, P Moënne-Loccoz, ... Proceedings of the National Academy of Sciences 114 (13), 3421-3426, 2017 | 27 | 2017 |
| Multiscale Simulation Reveals Passive Proton Transport Through SERCA on the Microsecond Timescale C Li, Z Yue, LM Espinoza-Fonseca, GA Voth Biophysical Journal 119 (5), 1033-1040, 2020 | 15 | 2020 |
| Ion permeation, selectivity, and electronic polarization in fluoride channels Z Yue, Z Wang, GA Voth Biophysical Journal 121 (7), 1336-1347, 2022 | 14 | 2022 |
| pH-Dependent cooperativity and existence of a dry molten globule in the folding of a miniprotein BBL Z Yue, J Shen Physical Chemistry Chemical Physics 20 (5), 3523-3530, 2018 | 10 | 2018 |
| Proton Coupling and the Multiscale Kinetic Mechanism of a Peptide Transporter C Li, Z Yue, S Newstead, GA Voth Biophysical Journal 121 (12), 2266-2278, 2022 | 9 | 2022 |
| Toward a Multipathway Perspective: pH-Dependent Kinetic Selection of Competing Pathways and the Role of the Internal Glutamate in Cl–/H+ Antiporters Z Yue, A Bernardi, C Li, AV Mironenko, JMJ Swanson The Journal of Physical Chemistry B 125 (29), 7975-7984, 2021 | 6 | 2021 |
| High‐mechanical‐strength ferrohydrogels with a magnetically dispersed phase as multifunctional crosslinkers Y Zhu, Z Wu, H Lu, Z Yue Journal of Applied Polymer Science 132 (22), 41950, 2015 | 2 | 2015 |
| Molecular dynamics simulation of complex reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) soft-ware package S Kaiser, Z Yue, Y Peng, T Nguyen, S Chen, D Teng, G Voth | 1 | 2024 |
| The role of conformational change and key glutamic acid residues in the ClC-ec1 antiporter Z Yue, C Li, GA Voth Biophysical Journal 122 (6), 1068-1085, 2023 | 1 | 2023 |
| 导电高聚物在生物传感器中的应用 乐知， 吴仲岿， 陈红 材料导报: 网络版, 33-37, 2006 | 1 | 2006 |
| Integrating Dynamic Ionization into Membrane Permeation Free Energy Landscapes and Macroscopic Permeability Calculations Z Yue, JMJ Swanson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, COMP-0024, 2019 | | 2019 |
| Unbiased kinase DFG-flip revealed by continuous constant pH molecular dynamics CC Tsai, Z Yue, J Shen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, COMP-0621, 2019 | | 2019 |
| Exploring Protein Dynamics and Folding with Constant pH Molecular Dynamics Simulations Z Yue University of Maryland, Baltimore, 2017 | | 2017 |
Jana ShenProfessor of Pharmaceutical Sciences, University of Maryland School of PharmacyVerified email at rx.umaryland.edu
