Ronald P. White, Ph.D.
Affiliations: | 2002 | University of New Hampshire, Durham, NH, United States |
Area:
Physical ChemistryGoogle:
"Ronald White"Parents
Sign in to add mentor| Howard Mayne | grad student | 2002 | UNH | |
| (Thermodynamic properties of mixed Lennard -Jones atomic clusters.) | ||||
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Publications
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| Meirovitch H, Cheluvaraja S, White RP. (2009) Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding. Current Protein & Peptide Science. 10: 229-43 |
| White RP, Meirovitch H. (2006) Minimalist explicit solvation models for surface loops in proteins. Journal of Chemical Theory and Computation. 2: 1135-1151 |
| White RP, Meirovitch H. (2006) Free volume hypothetical scanning molecular dynamics method for the absolute free energy of liquids. The Journal of Chemical Physics. 124: 204108 |
| White RP, Funt J, Meirovitch H. (2005) Calculation of the Entropy of Lattice Polymer Models from Monte Carlo Trajectories. Chemical Physics Letters. 410: 430-435 |
| White RP, Meirovitch H. (2005) Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method. The Journal of Chemical Physics. 123: 214908 |
| White RP, Cleary SM, Mayne HR. (2005) Phase changes in Lennard-Jones mixed clusters with composition Ar(n)Xe(6-n) (n=0,1,2). The Journal of Chemical Physics. 123: 94505 |
| White RP, Meirovitch H. (2004) Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water. The Journal of Chemical Physics. 121: 10889-904 |
| White RP, Meirovitch H. (2004) A simulation method for calculating the absolute entropy and free energy of fluids: application to liquid argon and water. Proceedings of the National Academy of Sciences of the United States of America. 101: 9235-40 |
| White RP, Meirovitch H. (2003) Absolute entropy and free energy of fluids using the hypothetical scanning method. II. Transition probabilities from canonical Monte Carlo simulations of partial systems Journal of Chemical Physics. 119: 12096-12105 |
| Szarecka A, White RP, Meirovitch H. (2003) Absolute entropy and free energy of fluids using the hypothetical scanning method. I. Calculation of transition probabilities from local grand canonical partition functions Journal of Chemical Physics. 119: 12084-12095 |