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Nucleic Acids Research|December 9, 2009
Atomistic basis for the on-off signaling mechanism in SAM-II riboswitchJennifer Munro Kelley, Donald HamelbergJournal of Chemical Theory and Computation|December 5, 2015
Oscillatory Diffusion and Second-Order Cyclostationarity in Alanine Tripeptide from Molecular Dynamics SimulationKa Chun Ho, Donald HamelbergJournal of the American Chemical Society|October 6, 2005
Fast peptidyl cis-trans isomerization within the flexible Gly-rich flaps of HIV-1 proteaseDonald Hamelberg, J Andrew McCammonJournal of Chemical Theory and Computation|October 24, 2018
Combinatorial Coarse-Graining of Molecular Dynamics Simulations for Detecting Relationships between Local Configurations and Overall ConformationsKa Chun Ho, Donald HamelbergThe Journal of Physical Chemistry. B|August 16, 2012
Entropic and surprisingly small intramolecular polarization effects in the mechanism of cyclophilin ASafieh Tork Ladani, Donald HamelbergJournal of the American Chemical Society|January 9, 2009
Mechanistic insight into the role of transition-state stabilization in cyclophilin ADonald Hamelberg, J Andrew McCammonThe 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 HamelbergPageof 11