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Dhruva K Chakravorty

Showing results (1-10 of 17) with videos related to

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Accounts of Chemical Research|December 25, 2014
Role of substrate dynamics in protein prenylation reactionsDhruva K Chakravorty, Kenneth M Merz
Advances in Protein Chemistry and Structural Biology|December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methodsDhruva 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 simulationsDhruva 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 farnesyltransferaseYue 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 CusBMelek 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 electrostaticsDhruva 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 CusFMelek 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 CusFDhruva 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 approachDhruva 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 SolventPengfei Li, Benjamin P Roberts, Dhruva K Chakravorty, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
Accounts of Chemical Research|December 25, 2014
Role of substrate dynamics in protein prenylation reactionsDhruva K Chakravorty, Kenneth M Merz
Advances in Protein Chemistry and Structural Biology|December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methodsDhruva 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 simulationsDhruva 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 farnesyltransferaseYue 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 CusBMelek 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 electrostaticsDhruva 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 CusFMelek 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 CusFDhruva 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 approachDhruva 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 SolventPengfei Li, Benjamin P Roberts, Dhruva K Chakravorty, et al.
Pageof 2