Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution BM Pettitt, PJ Rossky The Journal of chemical physics 84 (10), 5836-5844, 1986 | 624 | 1986 |
Solvation and hydration of proteins and nucleic acids: a theoretical view of simulation and experiment V Makarov, BM Pettitt, M Feig Accounts of chemical research 35 (6), 376-384, 2002 | 397 | 2002 |
Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids CL Brooks III, BM Pettitt, M Karplus The Journal of chemical physics 83 (11), 5897-5908, 1985 | 394 | 1985 |
Application of an extended RISM equation to dipolar and quadrupolar fluids F Hirata, BM Pettitt, PJ Rossky The Journal of Chemical Physics 77 (1), 509-520, 1982 | 383 | 1982 |
Integral equation predictions of liquid state structure for waterlike intermolecular potentials BM Pettitt, PJ Rossky The Journal of Chemical Physics 77 (3), 1451-1457, 1982 | 347 | 1982 |
The interionic potential of mean force in a molecular polar solvent from an extended RISM equation F Hirata, PJ Rossky, BM Pettitt The Journal of Chemical Physics 78 (6), 4133-4144, 1983 | 339 | 1983 |
A site–site theory for finite concentration saline solutions J Perkyns, BM Pettitt The Journal of chemical physics 97 (10), 7656-7666, 1992 | 336 | 1992 |
On the mechanism of hydrophobic association of nanoscopic solutes N Choudhury, BM Pettitt Journal of the American Chemical Society 127 (10), 3556-3567, 2005 | 332 | 2005 |
Residence times of water molecules in the hydration sites of myoglobin VA Makarov, BK Andrews, PE Smith, BM Pettitt Biophysical journal 79 (6), 2966-2974, 2000 | 311 | 2000 |
Binding of triple helix forming oligonucleotides to sites in gene promoters RH Durland, DJ Kessler, S Gunnell, M Duvic, ME Hogan, BM Pettitt Biochemistry 30 (38), 9246-9255, 1991 | 311 | 1991 |
Simple intramolecular model potentials for water LX Dang, BM Pettitt Journal of physical chemistry 91 (12), 3349-3354, 1987 | 310 | 1987 |
Sodium and chlorine ions as part of the DNA solvation shell M Feig, BM Pettitt Biophysical Journal 77 (4), 1769-1781, 1999 | 264 | 1999 |
Design of a new class of superpotent cyclic. alpha.-melanotropins based on quenched dynamic simulations F Al-Obeidi, ME Hadley, BM Pettitt, VJ Hruby Journal of the American Chemical Society 111 (9), 3413-3416, 1989 | 254 | 1989 |
A sampling problem in molecular dynamics simulations of macromolecules. JB Clarage, T Romo, BK Andrews, BM Pettitt, GN Phillips Jr Proceedings of the National Academy of Sciences 92 (8), 3288-3292, 1995 | 249 | 1995 |
Configurational entropy of native proteins M Karplus, T Ichiye, BM Pettitt Biophysical journal 52 (6), 1083-1085, 1987 | 244 | 1987 |
A dielectrically consistent interaction site theory for solvent—electrolyte mixtures JS Perkyns, BM Pettitt Chemical Physics Letters 190 (6), 626-630, 1992 | 241 | 1992 |
Sulfate anion in water: model structural, thermodynamic, and dynamic properties WR Cannon, BM Pettitt, JA McCammon The Journal of Physical Chemistry 98 (24), 6225-6230, 1994 | 237 | 1994 |
Modeling solvent in biomolecular systems PE Smith, BM Pettitt The Journal of physical chemistry 98 (39), 9700-9711, 1994 | 217 | 1994 |
The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach BM Pettitt, M Karplus Chemical physics letters 121 (3), 194-201, 1985 | 210 | 1985 |
Peptides in ionic solutions: a comparison of the Ewald and switching function techniques PE Smith, BM Pettitt The Journal of chemical physics 95 (11), 8430-8441, 1991 | 203 | 1991 |