| Coordination numbers of alkali metal ions in aqueous solutions S Varma, SB Rempe Biophysical chemistry 124 (3), 192-199, 2006 | 254 | 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 | 206 | 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 | 179 | 2004 |
| Tuning ion coordination architectures to enable selective partitioning S Varma, SB Rempe Biophysical journal 93 (4), 1093-1099, 2007 | 164 | 2007 |
| 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 | 148 | 2008 |
| The hydration number of Na+ in liquid water SB Rempe, LR Pratt Fluid Phase Equilibria 183, 121-132, 2001 | 148 | 2001 |
| Ab initio molecular dynamics calculations of ion hydration free energies K Leung, SB Rempe, OA von Lilienfeld The Journal of chemical physics 130 (20), 204507, 2009 | 120 | 2009 |
| 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 | 114 | 2013 |
| 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 | 109 | 2014 |
| Ab initio molecular dynamics study of glycine intramolecular proton transfer in water K Leung, SB Rempe The Journal of chemical physics 122 (18), 184506, 2005 | 108 | 2005 |
| 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 | 104 | 2006 |
| 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 | 96 | 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 | 93 | 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 | 77 | 2010 |
| Salt permeation and exclusion in hydroxylated and functionalized silica pores K Leung, SB Rempe, CD Lorenz Physical review letters 96 (9), 095504, 2006 | 76 | 2006 |
| 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 | 73 | 2008 |
| 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 | 71 | 2011 |
| Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory HS Ashbaugh, D Asthagiri, LR Pratt, SB Rempe Biophysical chemistry 105 (2-3), 323-338, 2003 | 66 | 2003 |
| Interactions and structure of poly (dimethylsiloxane) at silicon dioxide surfaces: Electronic structure and molecular dynamics studies M Tsige, T Soddemann, SB Rempe, GS Grest, JD Kress, MO Robbins, ... The Journal of chemical physics 118 (11), 5132-5142, 2003 | 64 | 2003 |
| A novel model for the simulation of chaos in low-flow-rate CSTR experiments with the Belousov-Zhabotinskii reaction: a chemical mechanism for two-frequency oscillations L Gyorgyi, SL Rempe, RJ Field The Journal of Physical Chemistry 95 (8), 3159-3165, 1991 | 62 | 1991 |
