| Integrated modeling program, applied chemical theory (IMPACT) JL Banks, HS Beard, Y Cao, AE Cho, W Damm, R Farid, AK Felts, ... Journal of computational chemistry 26 (16), 1752-1780, 2005 | 1527 | 2005 |
| Enthalpy− entropy and cavity decomposition of alkane hydration free energies: numerical results and implications for theories of hydrophobic solvation E Gallicchio, MM Kubo, RM Levy The Journal of Physical Chemistry B 104 (26), 6271-6285, 2000 | 432 | 2000 |
| AGBNP: An analytic implicit solvent model suitable for molecular dynamics simulations and high‐resolution modeling E Gallicchio, RM Levy Journal of computational chemistry 25 (4), 479-499, 2004 | 409 | 2004 |
| On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute− solvent interaction energy RM Levy, LY Zhang, E Gallicchio, AK Felts Journal of the American Chemical Society 125 (31), 9523-9530, 2003 | 344 | 2003 |
| Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects RM Levy, E Gallicchio Annual review of physical chemistry 49 (1), 531-567, 1998 | 337 | 1998 |
| The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators E Gallicchio, LY Zhang, RM Levy Journal of computational chemistry 23 (5), 517-529, 2002 | 306 | 2002 |
| Temperature weighted histogram analysis method, replica exchange, and transition paths E Gallicchio, M Andrec, AK Felts, RM Levy The Journal of Physical Chemistry B 109 (14), 6722-6731, 2005 | 217 | 2005 |
| Theory of binless multi-state free energy estimation with applications to protein-ligand binding Z Tan, E Gallicchio, M Lapelosa, RM Levy The Journal of chemical physics 136 (14), 2012 | 188 | 2012 |
| Binding energy distribution analysis method (BEDAM) for estimation of Protein− Ligand binding affinities E Gallicchio, M Lapelosa, RM Levy Journal of Chemical Theory and Computation 6 (9), 2961-2977, 2010 | 184 | 2010 |
| Protein folding pathways from replica exchange simulations and a kinetic network model M Andrec, AK Felts, E Gallicchio, RM Levy Proceedings of the National Academy of Sciences 102 (19), 6801-6806, 2005 | 174 | 2005 |
| Entropy-enthalpy compensation in solvation and ligand binding revisited E Gallicchio, MM Kubo, RM Levy changes 5 (6), 13-15, 1998 | 169 | 1998 |
| Free energy surfaces of β‐hairpin and α‐helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model AK Felts, Y Harano, E Gallicchio, RM Levy Proteins: Structure, Function, and Bioinformatics 56 (2), 310-321, 2004 | 168 | 2004 |
| Solvent models for protein–ligand binding: Comparison of implicit solvent Poisson and surface generalized Born models with explicit solvent simulations LY Zhang, E Gallicchio, RA Friesner, RM Levy Journal of Computational Chemistry 22 (6), 591-607, 2001 | 168 | 2001 |
| The AGBNP2 implicit solvation model E Gallicchio, K Paris, RM Levy Journal of chemical theory and computation 5 (9), 2544-2564, 2009 | 145 | 2009 |
| Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the opls all‐atom force field and the surface generalized Born … AK Felts, E Gallicchio, A Wallqvist, RM Levy Proteins: Structure, Function, and Bioinformatics 48 (2), 404-422, 2002 | 142 | 2002 |
| Recent theoretical and computational advances for modeling protein–ligand binding affinities E Gallicchio, RM Levy Advances in protein chemistry and structural biology 85, 27-80, 2011 | 136 | 2011 |
| Simulating replica exchange simulations of protein folding with a kinetic network model W Zheng, M Andrec, E Gallicchio, RM Levy Proceedings of the National Academy of Sciences 104 (39), 15340-15345, 2007 | 125 | 2007 |
| A model for studying drying at hydrophobic interfaces: Structural and thermodynamic properties A Wallqvist, E Gallicchio, RM Levy The Journal of Physical Chemistry B 105 (28), 6745-6753, 2001 | 119 | 2001 |
| Advances in all atom sampling methods for modeling protein–ligand binding affinities E Gallicchio, RM Levy Current Opinion in Structural Biology 21 (2), 161-166, 2011 | 112 | 2011 |
| OpenMM 8: molecular dynamics simulation with machine learning potentials P Eastman, R Galvelis, RP Peláez, CRA Abreu, SE Farr, E Gallicchio, ... The Journal of Physical Chemistry B 128 (1), 109-116, 2023 | 103 | 2023 |
Ronald M. LevyProfessor of ChemistryPatvirtintas el. paštas temple.edu
