| Role of non-native electrostatic interactions in the coupled folding and binding of PUMA with Mcl-1 WT Chu, J Clarke, SL Shammas, J Wang PLoS computational biology 13 (4), e1005468, 2017 | 36 | 2017 |
| Exploring the molecular basis of dsRNA recognition by Mss116p using molecular dynamics simulations and free-energy calculations Q Xue, JL Zhang, QC Zheng, YL Cui, L Chen, WT Chu, HX Zhang Langmuir 29 (35), 11135-11144, 2013 | 25 | 2013 |
| Influence of Hyperthermophilic Protein Cren7 on the Stability and Conformation of DNA: Insights from Molecular Dynamics Simulation and Free L Chen, QC Zheng, JL Zhang, LY Yu, WT Chu, Q Xue, HX Zhang, CC Sun The Journal of Physical Chemistry B, 0 | 24 | |
| Binding mechanism and dynamic conformational change of C subunit of PKA with different pathways WT Chu, X Chu, J Wang Proceedings of the National Academy of Sciences 114 (38), E7959-E7968, 2017 | 22 | 2017 |
| Thermodynamic and sequential characteristics of phase separation and droplet formation for an intrinsically disordered region/protein ensemble WT Chu, J Wang PLoS computational biology 17 (3), e1008672, 2021 | 19 | 2021 |
| Investigations of the underlying mechanisms of HIF-1α and CITED2 binding to TAZ1 WT Chu, X Chu, J Wang Proceedings of the National Academy of Sciences 117 (11), 5595-5603, 2020 | 16 | 2020 |
| Enzymatic activity and thermodynamic stability of biliverdin IXβ reductase are maintained by an active site serine WT Chu, NM Nesbitt, DV Gnatenko, Z Li, B Zhang, MA Seeliger, S Browne, ... Chemistry–A European Journal 23 (8), 1891-1900, 2017 | 16 | 2017 |
| Charge interactions modulate the encounter complex ensemble of two differently charged disordered protein partners of KIX WT Chu, SL Shammas, J Wang Journal of Chemical Theory and Computation 16 (6), 3856-3868, 2020 | 15 | 2020 |
| Energy landscape topography reveals the underlying link between binding specificity and activity of enzymes WT Chu, J Wang Scientific Reports 6 (1), 27808, 2016 | 14 | 2016 |
| Investigation of sliding DNA clamp dynamics by single-molecule fluorescence, mass spectrometry and structure-based modeling VV Gadkari, SR Harvey, AT Raper, WT Chu, J Wang, VH Wysocki, Z Suo Nucleic acids research 46 (6), 3103-3118, 2018 | 13 | 2018 |
| Drug design benefits from molecular dynamics: some examples JL Zhang, QC Zheng, WT Chu, HX Zhang Current computer-aided drug design 9 (4), 532-546, 2013 | 13 | 2013 |
| Constant pH molecular dynamics (CpHMD) and molecular docking studies of CquiOBP1 pH-induced ligand releasing mechanism WT Chu, JL Zhang, QC Zheng, L Chen, YJ Wu, Q Xue, HX Zhang Journal of molecular modeling 19, 1301-1309, 2013 | 12 | 2013 |
| Constant pH Molecular Dynamics (CpHMD) and mutation studies: Insights into AaegOBP1 pH-induced ligand releasing mechanism WT Chu, YJ Wu, JL Zhang, QC Zheng, L Chen, Q Xue, HX Zhang Biochimica et Biophysica Acta (BBA)-Proteins & Proteomics, 2012 | 12 | 2012 |
| Insights into the folding and unfolding processes of wild-type and mutated SH3 domain by molecular dynamics and replica exchange molecular dynamics simulations WT Chu, JL Zhang, QC Zheng, L Chen, HX Zhang PLoS One 8 (5), e64886, 2013 | 11 | 2013 |
| Quantifying the intrinsic conformation energy landscape topography of proteins with large-scale open–closed transition WT Chu, J Wang ACS central science 4 (8), 1015-1022, 2018 | 10 | 2018 |
| Insights into the phosphatase and the synthase activities of human bisphosphoglycerate mutase: a quantum mechanics/molecular mechanics simulation WT Chu, QC Zheng, HX Zhang Physical Chemistry Chemical Physics 16 (9), 3946-3954, 2014 | 10 | 2014 |
| Molecular dynamics (MD) simulations and binding free energy calculation studies between inhibitors and type II dehydroquinase (DHQ2) WT Chu, QC Zheng, YJ Wu, JL Zhang, CY Liang, L Chen, Q Xue, ... Taylor & Francis Group, 2012 | 8 | 2012 |
| Mutation and low pH effect on the stability as well as unfolding kinetics of transthyretin dimer Q Xue, QC Zheng, JL Zhang, YL Cui, WT Chu, HX Zhang Biophysical Chemistry 189, 8-15, 2014 | 7 | 2014 |
| Insights into the thermal stabilization and conformational transitions of DNA by hyperthermophile protein Sso7d: molecular dynamics simulations and MM-PBSA analysis L Chen, QC Zheng, LY Yu, WT Chu, JL Zhang, Q Xue, HX Zhang, CC Sun Journal of Biomolecular Structure and Dynamics 30 (6), 716-727, 2012 | 6 | 2012 |
| Influence of sequence length and charged residues on Swc5 binding with histone H2A‐H2B WT Chu, J Wang Proteins: Structure, Function, and Bioinformatics 89 (5), 512-520, 2021 | 5 | 2021 |
Hong-Xing ZHANG | 张红星Director of Laboratory of Theoretical & Computational Chemistry, Jilin UniversityVerified email at jlu.edu.cn
