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Zhang, Linda Yu, Gallicchio, Emilio, Friesner, Richard A., Levy, Ronald M. (2001) Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations. Journal of Computational Chemistry, 22 (6). 591-607 doi:10.1002/jcc.1031

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Reference TypeJournal (article/letter/editorial)
TitleSolvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations
JournalJournal of Computational Chemistry
AuthorsZhang, Linda YuAuthor
Gallicchio, EmilioAuthor
Friesner, Richard A.Author
Levy, Ronald M.Author
Year2001 (April 30)Volume22
Issue6
PublisherWiley
DOIdoi:10.1002/jcc.1031Search in ResearchGate
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Mindat Ref. ID3147605Long-form Identifiermindat:1:5:3147605:2
GUID0
Full ReferenceZhang, Linda Yu, Gallicchio, Emilio, Friesner, Richard A., Levy, Ronald M. (2001) Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations. Journal of Computational Chemistry, 22 (6). 591-607 doi:10.1002/jcc.1031
Plain TextZhang, Linda Yu, Gallicchio, Emilio, Friesner, Richard A., Levy, Ronald M. (2001) Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations. Journal of Computational Chemistry, 22 (6). 591-607 doi:10.1002/jcc.1031
In(2001, April) Journal of Computational Chemistry Vol. 22 (6) Wiley

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Gallicchio, Emilio, Zhang, Linda Yu, Levy, Ronald M. (2002) The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators. Journal of Computational Chemistry, 23 (5). 517-529 doi:10.1002/jcc.10045
Gallicchio, Emilio, Levy, Ronald M. (2004) AGBNP: An analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling. Journal of Computational Chemistry, 25 (4). 479-499 doi:10.1002/jcc.10400
Sun, Yu, Latour, Robert A. (2006) Comparison of implicit solvent models for the simulation of protein–surface interactions. Journal of Computational Chemistry, 27 (16). 1908-1922 doi:10.1002/jcc.20488
Levy, Ronald M., Zhang, Linda Y., Gallicchio, Emilio, Felts, Anthony K. (2003) On the Nonpolar Hydration Free Energy of Proteins:  Surface Area and Continuum Solvent Models for the Solute−Solvent Interaction Energy. Journal Of The American Chemical Society, 125 (31) 9523-9530 doi:10.1021/ja029833a
Wagoner, Jason, Baker, Nathan A. (2004) Solvation forces on biomolecular structures: A comparison of explicit solvent and Poisson-Boltzmann models. Journal of Computational Chemistry, 25 (13). 1623-1629 doi:10.1002/jcc.20089
Jiao, Dian, Zhang, Jiajing, Duke, Robert E., Li, Guohui, Schnieders, Michael J., Ren, Pengyu (2009) Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential. Journal of Computational Chemistry, 30 (11). 1701-1711 doi:10.1002/jcc.21268
Cumberworth, Alexander, Bui, Jennifer M., Gsponer, Jörg (2016) Free energies of solvation in the context of protein folding: Implications for implicit and explicit solvent models. Journal of Computational Chemistry, 37 (7). 629-640 doi:10.1002/jcc.24235
Formaneck, Mark S., Cui, Qiang (2006) The use of a generalized born model for the analysis of protein conformational transitions: A comparative study with explicit solvent simulations for chemotaxis Y protein (CheY). Journal of Computational Chemistry, 27 (16). 1923-1943 doi:10.1002/jcc.20489
Levy, Ronald M., Gallicchio, Emilio (1998) COMPUTER SIMULATIONS WITH EXPLICIT SOLVENT: Recent Progress in the Thermodynamic Decomposition of Free Energies and in Modeling Electrostatic Effects. Annual Review of Physical Chemistry, 49. 531-567 doi:10.1146/annurev.physchem.49.1.531
Kessler, Jiří, Jakubek, Milan, Dolenský, Bohumil, Bouř, Petr (2012) Binding energies of five molecular pincers calculated by explicit and implicit solvent models. Journal of Computational Chemistry, 33 (29). 2310-2317 doi:10.1002/jcc.23063
Schaefer, Michael, Bartels, Christian, Leclerc, Fabrice, Karplus, Martin (2001) Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes. Journal of Computational Chemistry, 22 (15). 1857-1879 doi:10.1002/jcc.1137
 
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