| Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations, | J. Chem. Theory and Comp. | Vol. 2, 1429-1434 (2006) | |||
| Download: | |||||
| Efficient Monte Carlo sampling of long molecular chains using local moves, tested on a solvated lipid bilayer | J. Chem. Phys. | Vol. 118, 3874-3879 (2003) | |||
| Download: | Journal site Abstract | TeX source | Figure (PS) | ||
| A new method for mapping macromolecular topography | J. Molec. Graphics and Modeling | Vol. 21, 463-472 (2003) | |||
| Download: | Postscript (w/o figures) | TeX source | |||
| MC-PHS: A Monte Carlo implementation of the primary hydration shell for protein folding and design | Biophys. J. | Vol. 84, 805-915 (2003) | |||
| Grand canonical ensemble Monte Carlo simulation of a lipid bilayer using extension biased rotations, | J. Chem. Phys. | Vol. 112, 10770-10773 (1999) | |||
| Download: | Journal site Abstract | ||||
| Polynomial Path for the Calculation of Liquid State Free Energies from Computer Simulations Tested on Liquid Water | J. Comput. Chem. | Vol. 13, 651-656 (1992) | |||
| Download: | Postscript (w/o figure) | TeX source | Figure (PS) | ||
| Distance-scaled force biased Monte Carlo simulations for solutions containing a strongly interacting solute | Molecular Simulation | Vol. 5, 405-408 (1991) | |||
| Download: | Postscript | TeX source | |||
| Direct calculation of excess free energy of the dense Lennard-Jones fluid | Molecular Simulation | Vol. 2, 201-207 (1989) | |||
| Download: | Postscript (w/o figures) | TeX source | |||
| Evaluation of the adaptive umbrella sampling method | Molecular Simulation | Vol. 3, 301-313 (1989) | |||
| Download: | Postscript (w/o figure) | TeX source | Figure (PS) | ||
| Test of the overlap ratio method on the calculation of the aqueous hydration free energy difference between acetone and dimethyl amine | Molec. Phys. | Vol. 65, 219-223 (1988) | |||
| Download: | Postscript | TeX source | |||
| A near-neighbour algorithm for Metropolis Monte Carlo simulations | Molecular Simulation | Vol. 1, 169-171 (1988) | |||
| Download: | Postscript | TeX source | |||
| Modified proximity criteria for the analysis of the solvation of a polyfunctional solute | Molecular Simulation | Vol. 1, 327-332 (1988) | |||
| Download: | Postscript (w/o figures) | TeX source | |||
| Adaptive umbrella sampling: self-consistent determination of the non-Boltzmann bias | J. Comput. Physics | Vol. 68, 237-240 (1987) | |||
| Download: | Postscript (w/o figure) | TeX source | Figure (PDF) | ||
| The finite difference thermodynamic integration tested on calculating the hydration free energy difference between acetone and dimethyl amine in water | J. Chem. Phys. | Vol. 86, 7084-7088 (1987) | |||
| Download: | Postscript (w/o figures) | TeX source | |||
| Grand-canonical ensemble Monte Carlo simulation of dense fluids: Lennard-Jones, soft spheres and water | Molec. Phys. | Vol. 61, 565-582 (1987) | |||
| Erratum: | Vol. 67, 1207-1208 (1989) | ||||
| Download: | Postscript (w/o figures) | TeX source | Figures (PDF) | ||
| Free energy simulations (with D.L. Beveridge) | Annals of the NY Acad. Sci. | Vol. 482, 1-23 (1986) | |||
| Download: | Postscript | TeX source | Figure (gif) | ||
| A comment on debugging Monte Carlo programs | CCP5 Newsletter | Number 23, (1986) | |||
| Download: | Postscript | TeX source | |||
| Generic solvent sites in a crystal (with D.L. Beveridge) | J. Comput. Chem. | Vol. 5, 523-527 (1984) | |||
| Download: | Postscript | TeX source | |||
| On the selection of the particle to be perturbed in the Monte Carlo method | J. Comput. Physics | Vol. 39, 128-136 (1981) | |||
| Download: | Postscript | TeX source | |||
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Last modified: 04/02/2003 (MM)
