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Journal of Chemical Theory and Computation|December 1, 2015
Water's Contribution to the Energetic Roughness from Peptide DynamicsQuentin Johnson, Urmi Doshi, Tongye Shen, et al.Journal of the American Chemical Society|October 18, 2011
Insights on the mechanism of amine oxidation catalyzed by D-arginine dehydrogenase through pH and kinetic isotope effectsHongling Yuan, Yao Xin, Donald Hamelberg, et al.Biochemistry|February 25, 2016
Role of F357 as an Oxygen Gate in the Oxidative Half-Reaction of Choline OxidaseFrancesca Salvi, Isela Rodriguez, Donald Hamelberg, et al.Biopolymers|September 10, 2015
Enhanced molecular dynamics sampling of drug target conformationsIsela G Rodriguez-Bussey, Urmi Doshi, Donald HamelbergJournal of Bioinformatics and Computational Biology|July 24, 2004
An empirical study of the universal chemical key algorithm for assigning unique keys to chemical compoundsRobert Grossman, Pavan Kasturi, Donald Hamelberg, et al.Nucleic Acids Research|August 15, 2002
Effect of a neutralized phosphate backbone on the minor groove of B-DNA: molecular dynamics simulation studiesDonald Hamelberg, Loren Dean Williams, W David WilsonProceedings of the National Academy of Sciences of the United States of America|April 23, 2008
A dry ligand-binding cavity in a solvated proteinJohan Qvist, Monika Davidovic, Donald Hamelberg, et al.Molecular Physics|May 20, 2026
Subsets of adjacent nodes (SOAN): A fast method for computing suboptimal paths in protein dynamic networksThomas Dodd, Xin-Qiu Yao, Donald Hamelberg, et al.Biopolymers|February 23, 2007
Comparative MD analysis of the stability of transthyretin providing insight into the fibrillation mechanismJesper Sørensen, Donald Hamelberg, Birgit Schiøtt, et al.The Journal of Physical Chemistry. B|June 1, 2018
Substrate Sequence Determines Catalytic Activities, Domain-Binding Preferences, and Allosteric Mechanisms in Pin1Mohamed Momin, Xin-Qiu Yao, Waygen Thor, et al.Pageof 11