These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
353 related articles for article (PubMed ID: 18307169)
1. The generalized Born/volume integral implicit solvent model: estimation of the free energy of hydration using London dispersion instead of atomic surface area. Labute P J Comput Chem; 2008 Jul; 29(10):1693-8. PubMed ID: 18307169 [TBL] [Abstract][Full Text] [Related]
2. The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators. Gallicchio E; Zhang LY; Levy RM J Comput Chem; 2002 Apr; 23(5):517-29. PubMed ID: 11948578 [TBL] [Abstract][Full Text] [Related]
3. Modeling loop reorganization free energies of acetylcholinesterase: a comparison of explicit and implicit solvent models. Olson MA Proteins; 2004 Dec; 57(4):645-50. PubMed ID: 15481087 [TBL] [Abstract][Full Text] [Related]
4. VBSM: a solvation model based on valence bond theory. Su P; Wu W; Kelly CP; Cramer CJ; Truhlar DG J Phys Chem A; 2008 Dec; 112(50):12761-8. PubMed ID: 18671376 [TBL] [Abstract][Full Text] [Related]
5. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions. Marenich AV; Cramer CJ; Truhlar DG J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259 [TBL] [Abstract][Full Text] [Related]
6. The parameterization and validation of generalized born models using the pairwise descreening approximation. Michel J; Taylor RD; Essex JW J Comput Chem; 2004 Nov; 25(14):1760-70. PubMed ID: 15362133 [TBL] [Abstract][Full Text] [Related]
7. Calculation of protein-ligand binding free energy using smooth reaction path generation (SRPG) method: a comparison of the explicit water model, gb/sa model and docking score function. Mitomo D; Fukunishi Y; Higo J; Nakamura H Genome Inform; 2009 Oct; 23(1):85-97. PubMed ID: 20180264 [TBL] [Abstract][Full Text] [Related]
8. Calculation of protein heat capacity from replica-exchange molecular dynamics simulations with different implicit solvent models. Yeh IC; Lee MS; Olson MA J Phys Chem B; 2008 Nov; 112(47):15064-73. PubMed ID: 18959439 [TBL] [Abstract][Full Text] [Related]
9. Calculation of absolute ligand binding free energy to a ribosome-targeting protein as a function of solvent model. Lee MS; Olson MA J Phys Chem B; 2008 Oct; 112(42):13411-7. PubMed ID: 18821791 [TBL] [Abstract][Full Text] [Related]
10. Generalized Born implicit solvent models for small molecule hydration free energies. Brieg M; Setzler J; Albert S; Wenzel W Phys Chem Chem Phys; 2017 Jan; 19(2):1677-1685. PubMed ID: 27995260 [TBL] [Abstract][Full Text] [Related]
11. Accuracy of free energies of hydration using CM1 and CM3 atomic charges. Udier-Blagović M; Morales De Tirado P; Pearlman SA; Jorgensen WL J Comput Chem; 2004 Aug; 25(11):1322-32. PubMed ID: 15185325 [TBL] [Abstract][Full Text] [Related]
12. Detailed considerations for a balanced and broadly applicable force field: a study of substituted benzenes modeled with OPLS-AA. Price DJ; Brooks CL J Comput Chem; 2005 Nov; 26(14):1529-41. PubMed ID: 16108048 [TBL] [Abstract][Full Text] [Related]
13. Prediction of SAMPL-1 hydration free energies using a continuum electrostatics-dispersion model. Sulea T; Wanapun D; Dennis S; Purisima EO J Phys Chem B; 2009 Apr; 113(14):4511-20. PubMed ID: 19267492 [TBL] [Abstract][Full Text] [Related]
14. Predicting hydration free energies of neutral compounds by a parametrization of the polarizable continuum model. Shimizu K; Freitas AA; Farah JP; Dias LG J Phys Chem A; 2005 Dec; 109(49):11322-7. PubMed ID: 16331918 [TBL] [Abstract][Full Text] [Related]
15. Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory. Bardhan JP J Chem Phys; 2008 Oct; 129(14):144105. PubMed ID: 19045132 [TBL] [Abstract][Full Text] [Related]
16. Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions. Rizzo RC; Aynechi T; Case DA; Kuntz ID J Chem Theory Comput; 2006 Jan; 2(1):128-39. PubMed ID: 26626387 [TBL] [Abstract][Full Text] [Related]
17. Dispersion self-free energies and interaction free energies of finite-sized ions in salt solutions. Boström M; Ninham BW Langmuir; 2004 Aug; 20(18):7569-74. PubMed ID: 15323503 [TBL] [Abstract][Full Text] [Related]
18. The importance of excluded solvent volume effects in computing hydration free energies. Yang PK; Lim C J Phys Chem B; 2008 Nov; 112(47):14863-8. PubMed ID: 18956834 [TBL] [Abstract][Full Text] [Related]
19. Hydration free energies of amino acids: why side chain analog data are not enough. König G; Boresch S J Phys Chem B; 2009 Jul; 113(26):8967-74. PubMed ID: 19507836 [TBL] [Abstract][Full Text] [Related]