| New advances in metadynamics L Sutto, S Marsili, FL Gervasio Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (5), 771-779, 2012 | 197 | 2012 |
| Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations S Marsili, A Barducci, R Chelli, P Procacci, V Schettino The Journal of Physical Chemistry B 110 (29), 14011-14013, 2006 | 168 | 2006 |
| From residue coevolution to protein conformational ensembles and functional dynamics L Sutto, S Marsili, A Valencia, FL Gervasio Proceedings of the National Academy of Sciences 112 (44), 13567-13572, 2015 | 142 | 2015 |
| 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 |
| Thermodynamics of stacking interactions in proteins S Marsili, R Chelli, V Schettino, P Procacci Physical Chemistry Chemical Physics 10 (19), 2673-2685, 2008 | 96 | 2008 |
| Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat P Procacci, S Marsili, A Barducci, GF Signorini, R Chelli The Journal of chemical physics 125 (16), 2006 | 82 | 2006 |
| Large-scale conformational transitions and dimerization are encoded in the amino-acid sequences of Hsp70 chaperones D Malinverni, S Marsili, A Barducci, P De Los Rios PLoS computational biology 11 (6), e1004262, 2015 | 65 | 2015 |
| Epigenomic co-localization and co-evolution reveal a key role for 5hmC as a communication hub in the chromatin network of ESCs D Juan, J Perner, EC de Santa Pau, S Marsili, D Ochoa, HR Chung, ... Cell reports 14 (5), 1246-1257, 2016 | 59 | 2016 |
| Wiley Interdiscip L Sutto, S Marsili, FL Gervasio Rev.: Comput. Mol. Sci 2 (771), 10.1002, 2012 | 50 | 2012 |
| Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulations R Chelli, S Marsili, A Barducci, P Procacci Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (5 …, 2007 | 46 | 2007 |
| Conservation of coevolving protein interfaces bridges prokaryote–eukaryote homologies in the twilight zone J Rodriguez-Rivas, S Marsili, D Juan, A Valencia Proceedings of the National Academy of Sciences 113 (52), 15018-15023, 2016 | 41 | 2016 |
| Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimators R Chelli, S Marsili, P Procacci Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 77 (3 …, 2008 | 36 | 2008 |
| Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations R Chelli, S Marsili, A Barducci, P Procacci The Journal of chemical physics 127 (3), 2007 | 22 | 2007 |
| New perspective on how and why immunophilin FK506-related ligands work M Bizzarri, E Tenori, MR Martina, S Marsili, G Caminati, S Menichetti, ... The Journal of Physical Chemistry Letters 2 (22), 2834-2839, 2011 | 21 | 2011 |
| Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: a strategy based on the equations of motion R Chelli, S Marsili, A Barducci, P Procacci The Journal of chemical physics 126 (4), 2007 | 20 | 2007 |
| Energy dissipation asymmetry in the non equilibrium folding/unfolding of the single molecule alanine decapeptide P Procacci, S Marsili Chemical Physics 375 (1), 8-15, 2010 | 18 | 2010 |
| Free energy reconstruction in bidirectional force spectroscopy experiments: The effect of the device stiffness S Marsili, P Procacci The Journal of Physical Chemistry B 114 (7), 2509-2516, 2010 | 16 | 2010 |
| Chemo-hormone therapy of non-well-differentiated endocrine tumours from different anatomic sites with cisplatinum, etoposide and slow release lanreotide formulation P Correale, A Sciandivasci, C Intrivici, A Pascucci, MT Del Vecchio, ... British journal of cancer 96 (9), 1343-1347, 2007 | 16 | 2007 |
| Energy-driven undocking (edu-hrem) in solute tempering replica exchange simulations P Procacci, M Bizzarri, S Marsili Journal of Chemical Theory and Computation 10 (1), 439-450, 2014 | 15 | 2014 |
| Intraligand Hydrophobic Interactions Rationalize Drug Affinities for Peptidyl− Prolyl Cis− Trans Isomerase Protein M Bizzarri, S Marsili, P Procacci The Journal of Physical Chemistry B 115 (19), 6193-6201, 2011 | 11 | 2011 |
Piero ProcacciComputational chemist, University of Florence在 unifi.it 的电子邮件经过验证
