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Donald Hamelberg

Showing results (51-60 of 104) with videos related to

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Journal of Chemical Information and Modeling|June 30, 2018
Elucidating Allosteric Communications in Proteins with Difference Contact Network AnalysisXin-Qiu Yao, Mohamed Momin, Donald Hamelberg
Proceedings. IEEE Computer Society Bioinformatics Conference|February 3, 2006
Experimental studies of the Universal Chemical Key (UCK) algorithm on the NCI database of chemical compoundsRobert Grossman, Pavan Kasturi, Donald Hamelberg, et al.
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 Hamelberg
Journal 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 Wilson
Proceedings 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.
Pageof 11

Showing results (51-60 of 104) with videos related to

Sort By:
Pageof 11
Journal of Chemical Information and Modeling|June 30, 2018
Elucidating Allosteric Communications in Proteins with Difference Contact Network AnalysisXin-Qiu Yao, Mohamed Momin, Donald Hamelberg
Proceedings. IEEE Computer Society Bioinformatics Conference|February 3, 2006
Experimental studies of the Universal Chemical Key (UCK) algorithm on the NCI database of chemical compoundsRobert Grossman, Pavan Kasturi, Donald Hamelberg, et al.
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 Hamelberg
Journal 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 Wilson
Proceedings 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.
Pageof 11