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D

Dhruva K. Chakravorty

pennsylvania commonwealth system of higher education (pcshe)

14H-index
60Paper Count
1.3KCitation Count
Published Papers 9
Publication Date
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Insight Gained from Migrating a Machine Learning Model to Intelligence Processing Units
errPRACTICE AND EXPERIENCE IN ADVANCED RESEARCH COMPUTING 2024, PEARC 2024
IF0
err2024-07-17
err0
errOAAI
errLe, Hieu; He, Zhenhua; Le, Mai; Chakravorty, Dhruva K.; Perez, Lisa M.; Chilumuru, Akhil; Yao, Yan; Chen, Jiefu
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errSave
A combined cheminformatic and bioinformatic approach to address the proteolytic stability challenge in peptide-based drug discovery
errBIOPOLYMERS
IF3.2
err2015-11-26
err2
PREAI
errBayden, Alexander S.; Gomez, Edwin F.; Audie, Joseph; Chakravorty, Dhruva K.; Diller, David J.
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errSave
Role of Substrate Dynamics in Protein Prenylation Reactions
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2014-12-24
err13
errOAAI
errChakravorty, Dhruva K.; Merz, Kenneth M., Jr.
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errSave
Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-05-23
err615
errOAAI
errLi, Pengfei; Roberts, Benjamin P.; Chakravorty, Dhruva K.; Merz, Kenneth M., Jr.
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errSave
Energetics of Zinc-Mediated Interactions in the Allosteric Pathways of Metal Sensor Proteins
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2012-12-26
err27
errOAAI
errChakravorty, Dhruva K.; Parker, Trent M.; Guerra, Alfredo J.; Sherrill, C. David; Giedroc, David P.; Merz, Kenneth M., Jr.
errShare
errSave
Simulations of Allosteric Motions in the Zinc Sensor CzrA
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2011-11-14
err49
errOAAI
errChakravorty, Dhruva K.; Wang, Bing; Lee, Chul Won; Giedroc, David P.; Merz, Kenneth M., Jr.
errShare
errSave
Insight into the Cation-π Interaction at the Metal Binding Site of the Copper Metallochaperone CusF
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2011-11-10
err56
errOAAI
errChakravorty, Dhruva K.; Wang, Bing; Ucisik, Melek N.; Merz, Kenneth M., Jr.
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errSave
Impact of Mutation on Proton Transfer Reactions in Ketosteroid Isomerase: Insights from Molecular Dynamics Simulations
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2010-05-07
err30
errOAAI
errChakravorty, Dhruva K.; Hammes-Schiffer, Sharon
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errSave
Implementation of Umbrella Integration within the Framework of the Empirical Valence Bond Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-10-08
err16
errOAAI
errChakravorty, Dhruva K.; Kumarasiri, Malika; Soudackov, Alexander V.; Hammes-Schiffer, Sharon
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
Y
Yan Yao
H-index: 86 · Papers: 600
C
C. David Sherrill
H-index: 85 · Papers: 286
K
Kenneth M. Merz
H-index: 83 · Papers: 690
S
Sharon Hammes‐Schiffer
H-index: 83 · Papers: 679
D
David Giedroc
H-index: 62 · Papers: 293
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