Dhruva K. Chakravorty - Publications, H-index & Citations

Dhruva K. Chakravorty

pennsylvania commonwealth system of higher education (pcshe)

14H指数

60论文数

1.3K被引数

收录论文 9

发表时间

Insight Gained from Migrating a Machine Learning Model to Intelligence Processing Units 从将机器学习模型迁移到智能处理单元中获得的洞察力

PRACTICE AND EXPERIENCE IN ADVANCED RESEARCH COMPUTING 2024, PEARC 2024

IF0

2024-07-17

OAAI

Le, Hieu; He, Zhenhua; Le, Mai; Chakravorty, Dhruva K.; Perez, Lisa M.; Chilumuru, Akhil; Yao, Yan; Chen, Jiefu

A combined cheminformatic and bioinformatic approach to address the proteolytic stability challenge in peptide-based drug discovery

BIOPOLYMERS

IF3.2

2015-11-26

PREAI

Bayden, Alexander S.; Gomez, Edwin F.; Audie, Joseph; Chakravorty, Dhruva K.; Diller, David J.

Role of Substrate Dynamics in Protein Prenylation Reactions

ACCOUNTS OF CHEMICAL RESEARCH

IF17.7

2014-12-24

OAAI

Chakravorty, Dhruva K.; Merz, Kenneth M., Jr.

Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent 显式溶剂中2种金属阳离子的颗粒网格Ewald兼容lennard-jones参数的合理设计

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-05-23

615

OAAI

Li, Pengfei; Roberts, Benjamin P.; Chakravorty, Dhruva K.; Merz, Kenneth M., Jr.

Energetics of Zinc-Mediated Interactions in the Allosteric Pathways of Metal Sensor Proteins

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2012-12-26

OAAI

Chakravorty, Dhruva K.; Parker, Trent M.; Guerra, Alfredo J.; Sherrill, C. David; Giedroc, David P.; Merz, Kenneth M., Jr.

Simulations of Allosteric Motions in the Zinc Sensor CzrA

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-11-14

OAAI

Chakravorty, Dhruva K.; Wang, Bing; Lee, Chul Won; Giedroc, David P.; Merz, Kenneth M., Jr.

Insight into the Cation-π Interaction at the Metal Binding Site of the Copper Metallochaperone CusF

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-11-10

OAAI

Chakravorty, Dhruva K.; Wang, Bing; Ucisik, Melek N.; Merz, Kenneth M., Jr.

Impact of Mutation on Proton Transfer Reactions in Ketosteroid Isomerase: Insights from Molecular Dynamics Simulations

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2010-05-07

OAAI

Chakravorty, Dhruva K.; Hammes-Schiffer, Sharon

Implementation of Umbrella Integration within the Framework of the Empirical Valence Bond Approach

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2008-10-08

OAAI

Chakravorty, Dhruva K.; Kumarasiri, Malika; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

研究方向