| Comparison of radii sets, entropy, QM methods, and sampling on MM‐PBSA, MM‐GBSA, and QM/MM‐GBSA ligand binding energies of F. tularensis enoyl‐ACP … PC Su, CC Tsai, S Mehboob, KE Hevener, ME Johnson Journal of computational chemistry 36 (25), 1859-1873, 2015 | 111 | 2015 |
| 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 | 90 | 2019 |
| Constant pH molecular dynamics reveals pH-modulated binding of two small-molecule BACE1 inhibitors CR Ellis, CC Tsai, X Hou, J Shen The journal of physical chemistry letters 7 (6), 944-949, 2016 | 55 | 2016 |
| Electrical programming of soft matter: Using temporally varying electrical inputs to spatially control self assembly K Yan, Y Liu, J Zhang, SO Correa, W Shang, CC Tsai, WE Bentley, J Shen, ... Biomacromolecules 19 (2), 364-373, 2018 | 52 | 2018 |
| Toward understanding the environmental control of hydrogel film properties: How salt modulates the flexibility of chitosan chains CC Tsai, BH Morrow, W Chen, GF Payne, J Shen Macromolecules 50 (15), 5946-5952, 2017 | 38 | 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 | 37 | 2018 |
| Electrical writing onto a dynamically responsive polysaccharide medium: patterning structure and function into a reconfigurable medium S Wu, K Yan, Y Zhao, CC Tsai, J Shen, WE Bentley, Y Chen, H Deng, ... Advanced Functional Materials 28 (40), 1803139, 2018 | 36 | 2018 |
| Proton-coupled conformational allostery modulates the inhibitor selectivity for β-secretase RC Harris, CC Tsai, CR Ellis, J Shen The journal of physical chemistry letters 8 (19), 4832-4837, 2017 | 34 | 2017 |
| 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 |
| Conformational dynamics of cathepsin D and binding to a small‐molecule BACE1 inhibitor CR Ellis, CC Tsai, FY Lin, J Shen Journal of computational chemistry 38 (15), 1260-1269, 2017 | 27 | 2017 |
| How ligand protonation state controls water in protein–ligand binding JA Henderson, RC Harris, CC Tsai, J Shen The journal of physical chemistry letters 9 (18), 5440-5444, 2018 | 26 | 2018 |
| Exploring pH-responsive, switchable crosslinking mechanisms for programming reconfigurable hydrogels based on aminopolysaccharides CC Tsai, GF Payne, J Shen Chemistry of Materials 30 (23), 8597-8605, 2018 | 25 | 2018 |
| Trowaglerix venom polypeptides as a novel antithrombotic agent by targeting immunoglobulin-like domains of glycoprotein VI in platelet CH Chang, CH Chung, YS Tu, CC Tsai, CC Hsu, HC Peng, YJ Tseng, ... Arteriosclerosis, Thrombosis, and Vascular Biology 37 (7), 1307-1314, 2017 | 24 | 2017 |
| Polyelectrolyte in electric field: disparate conformational behavior along an aminopolysaccharide chain P Mahinthichaichan, CC Tsai, GF Payne, J Shen Acs Omega 5 (21), 12016-12026, 2020 | 14 | 2020 |
| A Proof-of-Concept Inhibitor of Endothelial Lipase Suppresses Triple-Negative Breast Cancer Cells by Hijacking the Mitochondrial Function R Yang, S Han, J Clayton, M Haghighatian, CC Tsai, Y Yao, P Li, J Shen, ... Cancers 14 (15), 3763, 2022 | 1 | 2022 |
| Conformational plasticity and covalent hotspots: New computational tools for assisting targeted kinase inhibitor design J Shen, CC Tsai, R Liu ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 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, 2019 | | 2019 |
| Advancing Drug and Biomaterial Design with Constant pH Molecular Dynamics Simulations CC Tsai | | 2019 |
| Role of electric field and salt in electrical programming of chitosan-based hydrogels CC Tsai, J Shen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Profiling cathepsin D and BACE2: Flap dynamics and interaction with a BACE1 inhibitor J Shen, J Henderson, CC Tsai ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
Jana ShenProfessor of Pharmaceutical Sciences, University of Maryland School of PharmacyVerified email at rx.umaryland.edu
