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List of works by Xin-Qiu Yao

CafeMol: A Coarse-Grained Biomolecular Simulator for Simulating Proteins at Work

scientific article published on 19 May 2011

Comparative structural dynamic analysis of GTPases

scientific article

Decoding Allosteric Communication Pathways in Cyclophilin A with a Comparative Analysis of Perturbed Conformational Ensembles

scientific article published on 13 June 2018

Detecting Functional Dynamics in Proteins with Comparative Perturbed-Ensembles Analysis

scientific article published on 03 December 2019

Domain-opening and dynamic coupling in the α-subunit of heterotrimeric G proteins

scientific article published on July 2013

Drug export and allosteric coupling in a multidrug transporter revealed by molecular simulations

scientific article

Drug uptake pathways of multidrug transporter AcrB studied by molecular simulations and site-directed mutagenesis experiments

scientific article published on 14 May 2013

Dynamic Coupling and Allosteric Networks in the α Subunit of Heterotrimeric G Proteins.

scientific article published on 24 December 2015

Elucidating Allosteric Communications in Proteins with Difference Contact Network Analysis

scientific article published on 11 July 2018

Establishing a Framework of Using Residue-Residue Interactions in Protein Difference Network Analysis

scientific article published on 03 July 2019

Integrating protein structural dynamics and evolutionary analysis with Bio3D.

scientific article

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web.

scientific article

Key residue-dominated protein folding dynamics

scientific article published on 10 June 2008

Mapping the Processivity Determinants of the Kinesin-3 Motor Domain.

scientific article

Navigating the conformational landscape of G protein-coupled receptor kinases during allosteric activation.

scientific article

Online interactive analysis of protein structure ensembles with Bio3D-web

scientific article

Rapid Characterization of Allosteric Networks with Ensemble Normal Mode Analysis

scientific article published on 8 April 2016

Residue–Residue Contact Changes during Functional Processes Define Allosteric Communication Pathways

scientific article published on 20 January 2022

Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.

scientific article

Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.

scientific article published on March 2017

Substrate Sequence Determines Catalytic Activities, Domain-Binding Preferences, and Allosteric Mechanisms in Pin1

scientific article published on 13 June 2018

Synergistic mutations in soluble guanylyl cyclase (sGC) reveal a key role for interfacial regions in the sGC activation mechanism

scientific article published on 23 October 2019

Water dynamics clue to key residues in protein folding.

scientific article

Water-protein interplay reveals the specificity of alpha-lytic protease.

scientific article

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