Using generalized ensemble simulations and Markov state models to identify conformational states

Por Bowman, Gregory R., Huang, Xuhui, Pande, Vijay S.
Publicado em 2009

Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment

Por Huang, Xuhui, Bowman, Gregory R., Pande, Vijay S.
Publicado em 2008

Dynamics of Pyrophosphate Ion Release and Its Coupled Trigger Loop Motion from Closed to Open State in RNA Polymerase II

Por Da, Lin-Tai, Wang, Dong, Huang, Xuhui
Publicado em 2012

Quantitative comparison of alternative methods for coarse-graining biological networks

Por Bowman, Gregory R., Meng, Luming, Huang, Xuhui
Publicado em 2013

Network models for molecular kinetics and their initial applications to human health

Por Bowman, Gregory R, Huang, Xuhui, Pande, Vijay S
Publicado no Cell Res (2010)

Rapid equilibrium sampling initiated from nonequilibrium data

Por Huang, Xuhui, Bowman, Gregory R., Bacallado, Sergio, Pande, Vijay S.
Publicado em 2009

X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct

Por Wang, Dong, Zhu, Guangyu, Huang, Xuhui, Lippard, Stephen J.
Publicado em 2010

Hydrophobic Aided Replica Exchange: an Efficient Algorithm for Protein Folding in Explicit Solvent

Por Liu, Pu, Huang, Xuhui, Zhou, Ruhong, Berne, B. J.
Publicado em 2006

Fully differentiable coarse-grained and all-atom knowledge-based potentials for RNA structure evaluation

Por Bernauer, Julie, Huang, Xuhui, Sim, Adelene Y.L., Levitt, Michael
Publicado em 2011

A Two-State Model for the Dynamics of the Pyrophosphate Ion Release in Bacterial RNA Polymerase

Por Da, Lin-Tai, Pardo Avila, Fátima, Wang, Dong, Huang, Xuhui
Publicado em 2013

Crystallographic Snapshots of Class A β-Lactamase Catalysis Reveal Structural Changes That Facilitate β-Lactam Hydrolysis

Por Pan, Xuehua, He, Yunjiao, Lei, Jinping, Huang, Xuhui, Zhao, Yanxiang
Publicado no J Biol Chem (2017)

Nanoscale Dewetting Transition in Protein Complex Folding

Por Hua, Lan, Huang, Xuhui, Liu, Pu, Zhou, Ruhong, Berne, Bruce J.
Publicado em 2007

A Role for Both Conformational Selection and Induced Fit in Ligand Binding by the LAO Protein

Por Silva, Daniel-Adriano, Bowman, Gregory R., Sosa-Peinado, Alejandro, Huang, Xuhui
Publicado em 2011

Quantitatively Characterizing the Ligand Binding Mechanisms of Choline Binding Protein Using Markov State Model Analysis

Por Gu, Shuo, Silva, Daniel-Adriano, Meng, Luming, Yue, Alexander, Huang, Xuhui
Publicado em 2014

Chaotic Motifs in Gene Regulatory Networks

Por Zhang, Zhaoyang, Ye, Weiming, Qian, Yu, Zheng, Zhigang, Huang, Xuhui, Hu, Gang
Publicado em 2012

Strand-specific (asymmetric) contribution of phosphodiester linkages on RNA polymerase II transcriptional efficiency and fidelity

Por Xu, Liang, Zhang, Lu, Chong, Jenny, Xu, Jun, Huang, Xuhui, Wang, Dong
Publicado em 2014

Impact of template backbone heterogeneity on RNA polymerase II transcription

Por Xu, Liang, Wang, Wei, Zhang, Lu, Chong, Jenny, Huang, Xuhui, Wang, Dong
Publicado no Nucleic Acids Res (2015)

Structural Model of RNA Polymerase II Elongation Complex with Complete Transcription Bubble Reveals NTP Entry Routes

Por Zhang, Lu, Silva, Daniel-Adriano, Pardo-Avila, Fátima, Wang, Dong, Huang, Xuhui
Publicado no PLoS Comput Biol (2015)

The predicted structure of the headpiece of the Huntingtin protein and its implications on Huntingtin aggregation

Por Kelley, Nicholas W., Huang, Xuhui, Tam, Stephen, Spiess, Christoph, Frydman, Judith, Pande, Vijay S.
Publicado em 2009

Dewetting Transitions in Protein Cavities *

Por Young, Tom, Hua, Lan, Huang, Xuhui, Abel, Robert, Friesner, Richard, Berne, B. J.
Publicado em 2010