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Emilio Gallicchio
Emilio Gallicchio
CUNY Brooklyn College
Verified email at brooklyn.cuny.edu - Homepage
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Cited by
Year
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
14052005
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
4172000
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
3992004
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
3311998
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
3282003
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
2982002
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
2142005
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
1742010
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
1732005
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
1682004
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
1662012
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
1642001
Entropy-enthalpy compensation in solvation and ligand binding revisited
E Gallicchio, MM Kubo, RM Levy
changes 5 (6), 13-15, 1998
1601998
The AGBNP2 implicit solvation model
E Gallicchio, K Paris, RM Levy
Journal of chemical theory and computation 5 (9), 2544-2564, 2009
1432009
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
1402002
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
1302011
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
1212007
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
1192001
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
1092011
On the calculation of dynamical properties of solvated electrons by maximum entropy analytic continuation of path integral Monte Carlo data
E Gallicchio, BJ Berne
The Journal of chemical physics 105 (16), 7064-7078, 1996
1081996
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Articles 1–20