David M. Rogers
David M. Rogers
Staff Scientist, Oak Ridge National Laboratory
Bekræftet mail på usf.edu - Startside
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The glutaminase activity of l-asparaginase is not required for anticancer activity against ASNS-negative cells
WK Chan, PL Lorenzi, A Anishkin, P Purwaha, DM Rogers, S Sukharev, ...
Blood, The Journal of the American Society of Hematology 123 (23), 3596-3606, 2014
1332014
Polarization and charge transfer in the hydration of chloride ions
Z Zhao, DM Rogers, TL Beck
The Journal of chemical physics 132 (1), 014502, 2010
972010
Structural models and molecular thermodynamics of hydration of ions and small molecules
DM Rogers, D Jiao, LR Pratt, SB Rempe
Annual Reports in Computational Chemistry 8, 71-127, 2012
78*2012
Design principles for K+ selectivity in membrane transport
S Varma, DM Rogers, LR Pratt, SB Rempe
Journal of General Physiology 137 (6), 479-488, 2011
742011
Quasichemical and structural analysis of polarizable anion hydration
DM Rogers, TL Beck
The Journal of chemical physics 132 (1), 014505, 2010
702010
Dispersion-and exchange-corrected density functional theory for sodium ion hydration
M Soniat, DM Rogers, SB Rempe
Journal of chemical theory and computation 11 (7), 2958-2967, 2015
392015
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19
A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ...
Journal of chemical information and modeling 60 (12), 5832-5852, 2020
382020
Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds
DM Rogers, TL Beck
The Journal of chemical physics 129 (13), 134505, 2008
382008
Probing the thermodynamics of competitive ion binding using minimum energy structures
DM Rogers, SB Rempe
The Journal of Physical Chemistry B 115 (29), 9116-9129, 2011
372011
Accelerating QM/MM free energy computations via intramolecular force matching
PS Hudson, S Boresch, DM Rogers, HL Woodcock
Journal of chemical theory and computation 14 (12), 6327-6335, 2018
332018
Spatiotemporal pH dynamics in concentration polarization near ion-selective membranes
MB Andersen, DM Rogers, J Mai, B Schudel, AV Hatch, SB Rempe, ...
Langmuir 30 (26), 7902-7912, 2014
282014
Secondary infection of a total hip replacement with Brucella abortus
RE Jones, WH Berryhill, J Smith, A Hofmann, D Rogers
Orthopedics 6 (2), 184-186, 1983
281983
Molecular basis of endosomal-membrane association for the dengue virus envelope protein
DM Rogers, MS Kent, SB Rempe
Biochimica et Biophysica Acta (BBA)-Biomembranes 1848 (4), 1041-1052, 2015
242015
Catalytic role of the substrate defines specificity of therapeutic L-asparaginase
A Anishkin, JM Vanegas, DM Rogers, PL Lorenzi, WK Chan, P Purwaha, ...
Journal of molecular biology 427 (17), 2867-2885, 2015
232015
An information theory approach to nonlinear, nonequilibrium thermodynamics
DM Rogers, TL Beck, SB Rempe
Journal of statistical physics 145 (2), 385-409, 2011
16*2011
Extension of Kirkwood-Buff theory to the canonical ensemble
DM Rogers
The Journal of chemical physics 148 (5), 054102, 2018
132018
Insertion of Dengue E into lipid bilayers studied by neutron reflectivity and molecular dynamics simulations
JM Vanegas, F Heinrich, DM Rogers, BD Carson, S La Bauve, BC Vernon, ...
Biochimica et Biophysica Acta (BBA)-Biomembranes 1860 (5), 1216-1230, 2018
102018
Biomimetic Membranes for Water Purification.
SLB Rempe, K Leung, CJ Brinker, DM Rogers, YB Jiang, S Yang
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2011
102011
Atomic Layer Deposition of l-Alanine Polypeptide
Y Fu, B Li, YB Jiang, DR Dunphy, A Tsai, SY Tam, H Fan, H Zhang, ...
Journal of the American Chemical Society 136 (45), 15821-15824, 2014
92014
Molecular basis for SARS-CoV-2 spike affinity for human ACE2 receptor
JM Delgado, N Duro, DM Rogers, A Tkatchenko, SA Pandit, S Varma
bioRxiv, 2020
8*2020
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Artikler 1–20