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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
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
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
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
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
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
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
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
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
Conformational selection turns on phenylalanine hydroxylase
KA Konovalov, W Wang, X Huang
Journal of Biological Chemistry 293 (51), 19544-19545, 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
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