Susan Rempe
Susan Rempe
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Coordination numbers of alkali metal ions in aqueous solutions
S Varma, SB Rempe
Biophysical chemistry 124 (3), 192-199, 2006
The Hydration Number of Li+ in Liquid Water
SB Rempe, LR Pratt, G Hummer, JD Kress, RL Martin, A Redondo
Journal of the American Chemical Society 122 (5), 966-967, 2000
Hydration structure and free energy of biomolecularly specific aqueous dications, including Zn2+ and first transition row metals
D Asthagiri, LR Pratt, ME Paulaitis, SB Rempe
Journal of the American Chemical Society 126 (4), 1285-1289, 2004
The glutaminase activity of L-asparaginase is not required for anticancer activity against ASNS-negative cells
WK Chan, PL Lorenzie, A Anishkin, P Purwaha, DM Rogers, S Sukharev, ...
Blood 123, 3596-3606, 2014
Tuning ion coordination architectures to enable selective partitioning
S Varma, SB Rempe
Biophysical journal 93 (4), 1093-1099, 2007
The hydration number of Na+ in liquid water
SB Rempe, LR Pratt
Fluid Phase Equilibria 183, 121-132, 2001
Modeling electrochemical decomposition of fluoroethylene carbonate on silicon anode surfaces in lithium ion batteries
K Leung, SB Rempe, ME Foster, Y Ma, JMM Del La Hoz, N Sai, ...
Journal of the Electrochemical Society 161 (3), A213, 2013
K+/Na+ selectivity in K channels and valinomycin: over-coordination versus cavity-size constraints
S Varma, D Sabo, SB Rempe
Journal of molecular biology 376 (1), 13-22, 2008
Ab initio molecular dynamics calculations of ion hydration free energies
K Leung, SB Rempe, OA Von Lilienfeld
The Journal of chemical physics 130 (20), 2009
Density functional theory and DFT+ U study of transition metal porphines adsorbed on Au (111) surfaces and effects of applied electric fields
K Leung, SB Rempe, PA Schultz, EM Sproviero, VS Batista, ...
Journal of the American Chemical Society 128 (11), 3659-3668, 2006
Ab initio molecular dynamics study of glycine intramolecular proton transfer in water
K Leung, SB Rempe
The Journal of chemical physics 122 (18), 2005
Theoretical Study of Aqueous Solvation of K+ Comparing ab Initio, Polarizable, and Fixed-Charge Models
TW Whitfield, S Varma, E Harder, G Lamoureux, SB Rempe, B Roux
Journal of chemical theory and computation 3 (6), 2068-2082, 2007
Inner shell definition and absolute hydration free energy of K+(aq) on the basis of quasi-chemical theory and ab initio molecular dynamics
SB Rempe, D Asthagiri, LR Pratt
Physical Chemistry Chemical Physics 6 (8), 1966-1969, 2004
Ion selectivity from local configurations of ligands in solutions and ion channels
D Asthagiri, PD Dixit, S Merchant, ME Paulaitis, LR Pratt, SB Rempe, ...
Chemical physics letters 485 (1-3), 1-7, 2010
Ultra-thin enzymatic liquid membrane for CO2 separation and capture
Y Fu, YB Jiang, D Dunphy, H Xiong, E Coker, S Chou, H Zhang, ...
Nat. Commun. 9, 990, 2018
Salt permeation and exclusion in hydroxylated and functionalized silica pores
K Leung, SB Rempe, CD Lorenz
Physical review letters 96 (9), 095504, 2006
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
Scaling atomic partial charges of carbonate solvents for lithium ion solvation and diffusion
MI Chaudhari, JR Nair, LR Pratt, FA Soto, P Balbuena, SB Rempe
J. Chem. Theory Comput. 12 (12), 5709–5718, 2016
Structural transitions in ion coordination driven by changes in competition for ligand binding
S Varma, SB Rempe
Journal of the American Chemical Society 130 (46), 15405-15419, 2008
Neutron scattering studies of the hydration structure of Li+
PE Mason, S Ansell, GW Neilson, SB Rempe
The Journal of Physical Chemistry B 119 (5), 2003-2009, 2015
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