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The Journal of Physical Chemistry. B|March 23, 2022
From Distinct to Differential Conformational Dynamics to Map Allosteric Communication Pathways in ProteinsXin-Qiu Yao, Donald HamelbergThe Journal of Chemical Physics|February 23, 2015
Dynamical role of phosphorylation on serine/threonine-proline Pin1 substrates from constant force molecular dynamics simulationsHector A Velazquez, Donald HamelbergJournal of Chemical Theory and Computation|January 20, 2022
Residue-Residue Contact Changes during Functional Processes Define Allosteric Communication PathwaysXin-Qiu Yao, Donald HamelbergThe Journal of Physical Chemistry. B|August 29, 2013
Conformation-directed catalysis and coupled enzyme-substrate dynamics in Pin1 phosphorylation-dependent cis-trans isomeraseHector A Velazquez, Donald HamelbergBiochemistry|October 5, 2011
Conformational selection in the recognition of phosphorylated substrates by the catalytic domain of human Pin1Hector A Velazquez, Donald HamelbergAccounts of Chemical Research|December 4, 2019
Detecting Functional Dynamics in Proteins with Comparative Perturbed-Ensembles AnalysisXin-Qiu Yao, Donald HamelbergBiophysical Journal|January 22, 2013
Conformational plasticity of an enzyme during catalysis: intricate coupling between cyclophilin A dynamics and substrate turnoverLauren C McGowan, Donald HamelbergJACS Au|March 1, 2024
Dissecting the Allosteric Fine-Tuning of Enzyme CatalysisXin-Qiu Yao, Donald HamelbergThe Journal of Physical Chemistry. B|June 2, 2017
Allosteric Fine-Tuning of the Binding Pocket Dynamics in the ITK SH2 Domain by a Distal Molecular Switch: An Atomistic PerspectiveMohamed Momin, Yao Xin, Donald HamelbergBiochemistry|September 5, 2009
The cluster of hydrophobic residues controls the entrance to the active site of choline oxidaseYao Xin, Giovanni Gadda, Donald HamelbergPageof 11