受强制性开放获取政策约束的文章 - Dhruva K. Chakravorty了解详情
无法在其他位置公开访问的文章：3 篇
Models for the metal transfer complex of the N-terminal region of CusB and CusF
MN Ucisik, DK Chakravorty, KM Merz Jr
Biochemistry 54 (27), 4226-4235, 2015
强制性开放获取政策： US National Institutes of Health
Studying allosteric regulation in metal sensor proteins using computational methods
DK Chakravorty, KM Merz Jr
Advances in protein chemistry and structural biology 96, 181-218, 2014
强制性开放获取政策： US National Institutes of Health
Development of a Training Framework for Novel Accelerators
Z He, S Nite, J Winchell, A Nasari, H Le, J Tao, D Chakravorty, L Perez, ...
2023 IEEE Frontiers in Education Conference (FIE), 1-6, 2023
强制性开放获取政策： US National Science Foundation
可在其他位置公开访问的文章：40 篇
Rational design of particle mesh Ewald compatible Lennard-Jones parameters for+ 2 metal cations in explicit solvent
P Li, BP Roberts, DK Chakravorty, KM Merz Jr
Journal of chemical theory and computation 9 (6), 2733-2748, 2013
强制性开放获取政策： US National Institutes of Health
Insight into the cation− π interaction at the metal binding site of the copper metallochaperone CusF
DK Chakravorty, B Wang, MN Ucisik, KM Merz Jr
Journal of the American Chemical Society 133 (48), 19330-19333, 2011
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Simulations of allosteric motions in the zinc sensor CzrA
DK Chakravorty, B Wang, CW Lee, DP Giedroc, KM Merz Jr
Journal of the American Chemical Society 134 (7), 3367-3376, 2012
强制性开放获取政策： US National Institutes of Health
Using virtual reality to enforce principles of cybersecurity
JH Seo, M Bruner, A Payne, N Gober, D McMullen, DK Chakravorty
The Journal of Computational Science Education 10 (1), 2019
强制性开放获取政策： US National Science Foundation
Solution Structure of Mycobacterium tuberculosis NmtR in the Apo State: Insights into Ni(II)-Mediated Allostery
CW Lee, DK Chakravorty, FMJ Chang, H Reyes-Caballero, Y Ye, ...
Biochemistry 51 (12), 2619-2629, 2012
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Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: Analysis of hydrogen bonding, conformational …
DK Chakravorty, AV Soudackov, S Hammes-Schiffer
Biochemistry 48 (44), 10608-10619, 2009
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Energetics of zinc-mediated interactions in the allosteric pathways of metal sensor proteins
DK Chakravorty, TM Parker, AJ Guerra, CD Sherrill, DP Giedroc, ...
Journal of the American Chemical Society 135 (1), 30-33, 2013
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Structure and dynamics of the N-terminal domain of the Cu (I) binding protein CusB
MN Ucisik, DK Chakravorty, KM Merz Jr
Biochemistry 52 (39), 6911-6923, 2013
强制性开放获取政策： US National Institutes of Health
Impact of mutation on proton transfer reactions in ketosteroid isomerase: Insights from molecular dynamics simulations
DK Chakravorty, S Hammes-Schiffer
Journal of the American Chemical Society 132 (21), 7549-7555, 2010
强制性开放获取政策： US National Institutes of Health
Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods
DK Chakravorty, B Wang, CW Lee, AJ Guerra, DP Giedroc, KM Merz
Journal of biomolecular NMR 56, 125-137, 2013
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Benchmarking the performance of accelerators on national cyberinfrastructure resources for artificial intelligence/machine learning workloads
A Nasari, H Le, R Lawrence, Z He, X Yang, M Krell, A Tsyplikhin, ...
Practice and Experience in Advanced Research Computing, 1-9, 2022
强制性开放获取政策： US National Science Foundation
Characterizing solution surface loop conformational flexibility of the GM2 activator protein
JD Carter, JD Mathias, EF Gomez, Y Ran, F Xu, L Galiano, NQ Tran, ...
The Journal of Physical Chemistry B 118 (36), 10607-10617, 2014
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Finding a Needle in the Haystack: Computational Modeling of Mg2+ Binding in the Active Site of Protein Farnesyltransferase
Y Yang, DK Chakravorty, KM Merz Jr
Biochemistry 49 (44), 9658-9666, 2010
强制性开放获取政策： US National Institutes of Health
Implementation of umbrella integration within the framework of the empirical valence bond approach
DK Chakravorty, M Kumarasiri, AV Soudackov, S Hammes-Schiffer
Journal of chemical theory and computation 4 (11), 1974-1980, 2008
强制性开放获取政策： US National Institutes of Health
Role of substrate dynamics in protein prenylation reactions
DK Chakravorty, KM Merz Jr
Accounts of Chemical Research 48 (2), 439-448, 2015
强制性开放获取政策： US National Institutes of Health
Evaluating Active Learning Approaches for Teaching Intermediate Programming at an Early Undergraduate Level
DK Chakravorty, M Pennings
The Journal of Computational Science Education 10 (1), 2019
强制性开放获取政策： US National Science Foundation
Metal ion capture mechanism of a copper metallochaperone
DK Chakravorty, P Li, TT Tran, CA Bayse, KM Merz Jr
Biochemistry 55 (3), 501-509, 2016
强制性开放获取政策： US National Science Foundation, US National Institutes of Health
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