Diabatic surfaces and the pathway for primary electron transfer in a photosynthetic reaction center M Marchi, JN Gehlen, D Chandler, M Newton Journal of the American Chemical Society 115 (10), 4178-4190, 1993 | 305 | 1993 |
Water rotational relaxation and diffusion in hydrated lysozyme M Marchi, F Sterpone, M Ceccarelli Journal of the American Chemical Society 124 (23), 6787-6791, 2002 | 277 | 2002 |
How protein surfaces induce anomalous dynamics of hydration water F Pizzitutti, M Marchi, F Sterpone, PJ Rossky The Journal of Physical Chemistry B 111 (26), 7584-7590, 2007 | 271 | 2007 |
Molecular modeling and simulations of AOT− water reverse micelles in isooctane: structural and dynamic properties S Abel, F Sterpone, S Bandyopadhyay, M Marchi The Journal of Physical Chemistry B 108 (50), 19458-19466, 2004 | 269 | 2004 |
ORAC: A molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions P Procacci, TA Darden, E Paci, M Marchi Journal of computational chemistry 18 (15), 1848-1862, 1997 | 212 | 1997 |
Dynamics affecting the primary charge transfer in photosynthesis JN Gehlen, M Marchi, D Chandler Science 263 (5146), 499-502, 1994 | 172 | 1994 |
Adiabatic bias molecular dynamics: a method to navigate the conformational space of complex molecular systems M Marchi, P Ballone The Journal of chemical physics 110 (8), 3697-3702, 1999 | 163 | 1999 |
Resonant activation in a bistable system M Marchi, F Marchesoni, L Gammaitoni, E Menichella-Saetta, S Santucci Physical Review E 54 (4), 3479, 1996 | 134 | 1996 |
Thermal expansion of structure I ethylene oxide hydrate JS Tse, WR McKinnon, M Marchi Journal of Physical Chemistry 91 (15), 4188-4193, 1987 | 125 | 1987 |
Coordinates scaling and multiple time step algorithms for simulation of solvated proteins in the NPT ensemble M Marchi, P Procacci The Journal of chemical physics 109 (13), 5194-5202, 1998 | 123 | 1998 |
A very fast molecular dynamics method to simulate biomolecular systems with realistic electrostatic interactions P Procacci, T Darden, M Marchi The Journal of Physical Chemistry 100 (24), 10464-10468, 1996 | 120 | 1996 |
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level S Marsili, GF Signorini, R Chelli, M Marchi, P Procacci Journal of computational chemistry 31 (5), 1106-1116, 2010 | 110 | 2010 |
An ab initio force field for the cofactors of bacterial photosynthesis M Ceccarelli, P Procacci, M Marchi Journal of computational chemistry 24 (2), 129-142, 2003 | 109 | 2003 |
Taming the Ewald sum in molecular dynamics simulations of solvated proteins via a multiple time step algorithm P Procacci, M Marchi The Journal of chemical physics 104 (8), 3003-3012, 1996 | 106 | 1996 |
Intrinsic compressibility and volume compression in solvated proteins by molecular dynamics simulation at high pressure. E Paci, M Marchi Proceedings of the National Academy of Sciences 93 (21), 11609-11614, 1996 | 103 | 1996 |
Dynamics of hydration in hen egg white lysozyme F Sterpone, M Ceccarelli, M Marchi Journal of molecular biology 311 (2), 409-419, 2001 | 91 | 2001 |
Molecular simulations of dodecyl-β-maltoside micelles in water: influence of the headgroup conformation and force field parameters S Abel, FY Dupradeau, EP Raman, AD MacKerell Jr, M Marchi The Journal of Physical Chemistry B 115 (3), 487-499, 2011 | 87 | 2011 |
Molecular dynamics simulations of a characteristic DPC micelle in water S Abel, FY Dupradeau, M Marchi Journal of Chemical Theory and Computation 8 (11), 4610-4623, 2012 | 80 | 2012 |
A dielectric continuum molecular dynamics method M Marchi, D Borgis, N Levy, P Ballone The Journal of Chemical Physics 114 (10), 4377-4385, 2001 | 74 | 2001 |
Electrostatic calculations and multiple time scales in molecular dynamics simulation of flexible molecular systems P Procacci, M Marchi, GJ Martyna The Journal of chemical physics 108 (21), 8799-8803, 1998 | 74 | 1998 |