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Accounts of Chemical Research
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December 25, 2014
Role of substrate dynamics in protein prenylation reactions
Dhruva K Chakravorty, Kenneth M Merz
Advances in Protein Chemistry and Structural Biology
|
December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methods
Dhruva K Chakravorty, Kenneth M Merz
Journal of the American Chemical Society
|
May 11, 2010
Impact of mutation on proton transfer reactions in ketosteroid isomerase: insights from molecular dynamics simulations
Dhruva K Chakravorty, Sharon Hammes-Schiffer
Biochemistry
|
October 7, 2010
Finding a needle in the haystack: computational modeling of Mg2+ binding in the active site of protein farnesyltransferase
Yue Yang, Dhruva K Chakravorty, Kenneth M Merz
Biochemistry
|
August 31, 2013
Structure and dynamics of the N-terminal domain of the Cu(I) binding protein CusB
Melek N Ucisik, Dhruva K Chakravorty, Kenneth M Merz
Biochemistry
|
October 6, 2009
Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: analysis of hydrogen bonding, conformational motions, and electrostatics
Dhruva K Chakravorty, Alexander V Soudackov, Sharon Hammes-Schiffer
Biochemistry
|
June 17, 2015
Models for the Metal Transfer Complex of the N-Terminal Region of CusB and CusF
Melek N Ucisik, Dhruva K Chakravorty, Kenneth M Merz
Journal of the American Chemical Society
|
October 28, 2011
Insight into the cation-π interaction at the metal binding site of the copper metallochaperone CusF
Dhruva K Chakravorty, Bing Wang, Melek N Ucisik, et al.
Journal of Chemical Theory and Computation
|
September 28, 2011
Implementation of umbrella integration within the framework of the empirical valence bond approach
Dhruva K Chakravorty, Malika Kumarasiri, Alexander V Soudackov, et al.
Journal of Chemical Theory and Computation
|
August 6, 2013
Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent
Pengfei Li, Benjamin P Roberts, Dhruva K Chakravorty, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Accounts of Chemical Research
|
December 25, 2014
Role of substrate dynamics in protein prenylation reactions
Dhruva K Chakravorty, Kenneth M Merz
Advances in Protein Chemistry and Structural Biology
|
December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methods
Dhruva K Chakravorty, Kenneth M Merz
Journal of the American Chemical Society
|
May 11, 2010
Impact of mutation on proton transfer reactions in ketosteroid isomerase: insights from molecular dynamics simulations
Dhruva K Chakravorty, Sharon Hammes-Schiffer
Biochemistry
|
October 7, 2010
Finding a needle in the haystack: computational modeling of Mg2+ binding in the active site of protein farnesyltransferase
Yue Yang, Dhruva K Chakravorty, Kenneth M Merz
Biochemistry
|
August 31, 2013
Structure and dynamics of the N-terminal domain of the Cu(I) binding protein CusB
Melek N Ucisik, Dhruva K Chakravorty, Kenneth M Merz
Biochemistry
|
October 6, 2009
Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: analysis of hydrogen bonding, conformational motions, and electrostatics
Dhruva K Chakravorty, Alexander V Soudackov, Sharon Hammes-Schiffer
Biochemistry
|
June 17, 2015
Models for the Metal Transfer Complex of the N-Terminal Region of CusB and CusF
Melek N Ucisik, Dhruva K Chakravorty, Kenneth M Merz
Journal of the American Chemical Society
|
October 28, 2011
Insight into the cation-π interaction at the metal binding site of the copper metallochaperone CusF
Dhruva K Chakravorty, Bing Wang, Melek N Ucisik, et al.
Journal of Chemical Theory and Computation
|
September 28, 2011
Implementation of umbrella integration within the framework of the empirical valence bond approach
Dhruva K Chakravorty, Malika Kumarasiri, Alexander V Soudackov, et al.
Journal of Chemical Theory and Computation
|
August 6, 2013
Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent
Pengfei Li, Benjamin P Roberts, Dhruva K Chakravorty, et al.
Page
of 2