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Emilio Gallicchio
Emilio Gallicchio
CUNY Brooklyn College
Bestätigte E-Mail-Adresse bei brooklyn.cuny.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
14252005
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
4202000
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
3331998
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
3292003
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
2992002
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
2152005
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
1762010
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
1742005
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
1692012
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
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
1652001
Entropy-enthalpy compensation in solvation and ligand binding revisited
E Gallicchio, MM Kubo, RM Levy
changes 5 (6), 13-15, 1998
1631998
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
1312011
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
1232007
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
1102011
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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