Dhruva K. Chakravorty, Ph.D.
Affiliations: | 2010 | Pennsylvania State University, State College, PA, United States |
Area:
Physical ChemistryGoogle:
"Dhruva Chakravorty"Mean distance: (not calculated yet)
Parents
Sign in to add mentorSharon Hammes-Schiffer | grad student | 2010 | Penn State | |
(Hybrid quantum/classical molecular dynamics simulations of hydrogen transfer reactions in enzymes.) |
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Publications
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Chakravorty DK, Li P, Tran TT, et al. (2015) Metal Ion Capture Mechanism of a Copper Metallochaperone. Biochemistry |
Ucisik MN, Chakravorty DK, Merz KM. (2015) Models for the Metal Transfer Complex of the N-Terminal Region of CusB and CusF. Biochemistry. 54: 4226-35 |
Chakravorty DK, Merz KM. (2015) Role of substrate dynamics in protein prenylation reactions. Accounts of Chemical Research. 48: 439-48 |
Chakravorty DK, Merz KM. (2014) Studying allosteric regulation in metal sensor proteins using computational methods. Advances in Protein Chemistry and Structural Biology. 96: 181-218 |
Carter JD, Mathias JD, Gomez EF, et al. (2014) Characterizing solution surface loop conformational flexibility of the GM2 activator protein. The Journal of Physical Chemistry. B. 118: 10607-17 |
Ucisik MN, Chakravorty DK, Merz KM. (2013) Structure and dynamics of the N-terminal domain of the Cu(I) binding protein CusB. Biochemistry. 52: 6911-23 |
Li P, Roberts BP, Chakravorty DK, et al. (2013) Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent. Journal of Chemical Theory and Computation. 9: 2733-2748 |
Chakravorty DK, Wang B, Lee CW, et al. (2013) Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods. Journal of Biomolecular Nmr. 56: 125-37 |
Chakravorty DK, Parker TM, Guerra AJ, et al. (2013) Energetics of zinc-mediated interactions in the allosteric pathways of metal sensor proteins. Journal of the American Chemical Society. 135: 30-3 |
Lee CW, Chakravorty DK, Chang FM, et al. (2012) Solution structure of Mycobacterium tuberculosis NmtR in the apo state: insights into Ni(II)-mediated allostery. Biochemistry. 51: 2619-29 |