| ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution C Tian, K Kasavajhala, K Belfon, L Raguette, H Huang, A Migues, J Bickel, ... J. Chem. Theory Comput, 2019 | 1487 | 2019 |
| Identification of microbial markers across populations in early detection of colorectal cancer Y Wu, N Jiao, R Zhu, Y Zhang, D Wu, AJ Wang, S Fang, L Tao, Y Li, ... Nature Communications, 2021 | 187 | 2021 |
| Potassium channels: structures, diseases, and modulators C Tian, R Zhu, L Zhu, T Qiu, Z Cao, T Kang Chemical Biology & Drug Design 83 (1), 1-26, 2014 | 126 | 2014 |
| Blinded prediction of protein–ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4 J Zou, C Tian, C Simmerling Journal of Computer-Aided Molecular Design, 1-9, 2019 | 53 | 2019 |
| In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems Y Tao, W Zou, D Sethio, N Verma, Y Qui, C Tian, D Creme, E Kraka J. Chem. Theory Comput, 2019 | 40 | 2019 |
| Recovering Intrinsic Fragmental Vibrations using the Generalized Subsystem Vibrational Analysis Y Tao, C Tian, N Verma, W Zou, C Wang, D Creme, E Kraka J. Chem. Theory Comput, 2018 | 30 | 2018 |
| Targeting keystone species helps restore the dysbiosis of butyrate‐producing bacteria in nonalcoholic fatty liver disease D Wu, L Liu, N Jiao, Y Zhang, L Yang, C Tian, P Lan, L Zhu, R Loomba, ... Imeta 1 (4), e61, 2022 | 17 | 2022 |
| The Investigation on Resorcinarenes towards either Inhibiting or Promoting Insulin Fibrillation X Han, C Tian, I Gandra, V Eslava, D Galindres, E Vargas, R Leblanc Chemistry-A European Journal 23 (71), 17903-17907, 2017 | 16 | 2017 |
| The roles of Qishen granules recipes, Qingre Jiedu, Wenyang Yiqi and Huo Xue, in the treatment of heart failure S Gao, Q Zhang, C Tian, C Li, Y Lin, W Gao, D Wu, N Jiao, L Zhu, W Li, ... Journal of ethnopharmacology 249, 112372, 2020 | 12 | 2020 |
| The Stereoselectivity of CYP 2C19 on R‐and S‐isomers of Proton Pump Inhibitors C Tian, L Zhu, D Yu, Z Cao, T Kang, R Zhu Chemical biology & drug design 83 (5), 610-621, 2014 | 8 | 2014 |
| Binding Mechanism of Inhibitors to CDK5/p25 Complex: Free Energy Calculation and Ranking Aggregation Analysis Q Wu, H Kang, C Tian, Q Huang, R Zhu Molecular Informatics 32 (3), 251-260, 2013 | 7 | 2013 |
| Identification of the keystone species in non-alcoholic fatty liver disease by causal inference and dynamic intervention modeling D Wu, N Jiao, R Zhu, Y Zhang, W Gao, S Fang, Y Li, S Cheng, C Tian, ... bioRxiv, 2020.08. 06.240655, 2020 | 5 | 2020 |
| Dr AFC: Drug Repositioning Through Anti-Fibrosis Characteristic D Wu, W Gao, X Li, C Tian, N Jiao, S Fang, J Xiao, Z Xu, L Zhu, G Zhang, ... Briefings in Bioinformatics 22 (3), 1-9, 2020 | 5 | 2020 |
| Improving the Accuracy of Amber Force Field for Biomolecular Simulation C Tian State University of New York at Stony Brook, 2019 | 4 | 2019 |
| Improvements in Precision of Relative Binding Free Energy Calculations Afforded by the Alchemical Enhanced Sampling (ACES) Approach HC Tsai, J Xu, Z Guo, Y Yi, C Tian, X Que, T Giese, TS Lee, DM York, ... Journal of Chemical Information and Modeling 64 (18), 7046-7055, 2024 | | 2024 |
| phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids LE Raguette, AE Cuomo, KAA Belfon, C Tian, V Hazoglou, G Witek, ... Journal of Chemical Theory and Computation 20 (16), 7199-7209, 2024 | | 2024 |
| An atomic radii set and Generalized Born implicit solvation model trained using explicit water solvation free energy data Y Wang, C Tian, J Pincay, C Simmerling | | 2024 |
| ff18SB: Amino-acid specific protein backbone parameters trained against quantum mechanics energies in solution C Tian, K Belfon, L Raguette, A Migues, Q Wu, C Simmerling ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| FF18SB: Improving the accuracy of biomolecular simulation with a physics-based force field C Tian, A Migues, Q Wu, C Simmerling ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |