| Constructing Markov State Models to elucidate the functional conformational changes of complex biomolecules W Wang, S Cao, L Zhu, X Huang Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1343, 2018 | 108 | 2018 |
| Adaptive partitioning by local density‐peaks: An efficient density‐based clustering algorithm for analyzing molecular dynamics trajectories S Liu, L Zhu, FK Sheong, W Wang, X Huang Journal of Computational Chemistry 38 (3), 152-160, 2017 | 35 | 2017 |
| Clustering algorithms to analyze molecular dynamics simulation trajectories for complex chemical and biological systems J Peng, W Wang, Y Yu, H Gu, X Huang Chinese Journal of Chemical Physics 31 (4), 404-420, 2018 | 34 | 2018 |
| On the advantages of exploiting memory in Markov state models for biomolecular dynamics S Cao, A Montoya-Castillo, W Wang, TE Markland, X Huang The Journal of Chemical Physics 153 (1), 014105, 2020 | 32 | 2020 |
| Role of bacterial RNA polymerase gate opening dynamics in DNA loading and antibiotics inhibition elucidated by quasi-Markov State Model IC Unarta, S Cao, S Kubo, W Wang, PPH Cheung, X Gao, S Takada, ... Proceedings of the National Academy of Sciences 118 (17), e2024324118, 2021 | 27 | 2021 |
| An efficient Bayesian kinetic lumping algorithm to identify metastable conformational states via Gibbs sampling W Wang, T Liang, FK Sheong, X Fan, X Huang The Journal of Chemical Physics 149 (7), 072337, 2018 | 25 | 2018 |
| Data-driven tight frame for cryo-em image denoising and conformational classification Y Xian, H Gu, W Wang, X Huang, Y Yao, Y Wang, JF Cai 2018 IEEE Global Conference on Signal and Information Processing (GlobalSIP …, 2018 | 6 | 2018 |
| RPnet: a reverse-projection-based neural network for coarse-graining metastable conformational states for protein dynamics H Gu, W Wang, S Cao, IC Unarta, Y Yao, FK Sheong, X Huang Physical Chemistry Chemical Physics 24 (3), 1462-1474, 2022 | 5 | 2022 |
| Microsecond timescale MD simulations at the transition state of Pm HMGR predict remote allosteric residues TR Quinn, CN Steussy, BE Haines, J Lei, W Wang, FK Sheong, ... Chemical Science 12 (18), 6413-6418, 2021 | 5 | 2021 |
| Conformational selection turns on phenylalanine hydroxylase KA Konovalov, W Wang, X Huang Journal of Biological Chemistry 293 (51), 19544-19545, 2018 | 3 | 2018 |
| An Efficient Method to Quantify Structural Distributions in Heterogeneous cryo-EM Datasets H Gu, W Wang, IC Unarta, W Zeng, FK Sheong, PPH Cheung, S Liu, ... bioRxiv, 2021.05. 27.446075, 2021 | | 2021 |
Xuhui HuangHirschfelder Chair in Theoretical Chemistry, University of Wisconsin-Madison (previously at HKUST)Verified email at chem.wisc.edu
