138 related articles for article (PubMed ID: 36902130)
1. The Intrinsic Radius as a Key Parameter in the Generalized Born Model to Adjust Protein-Protein Electrostatic Interaction.
Parkin D; Takano M
Int J Mol Sci; 2023 Feb; 24(5):. PubMed ID: 36902130
[TBL] [Abstract][Full Text] [Related]
2. Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.
Guvench O; Weiser J; Shenkin P; Kolossváry I; Still WC
J Comput Chem; 2002 Jan; 23(2):214-21. PubMed ID: 11924735
[TBL] [Abstract][Full Text] [Related]
3. Over-Destabilization of Protein-Protein Interaction in Generalized Born Model and Utility of Energy Density Integration Cutoff.
Mizuhara Y; Parkin D; Umezawa K; Ohnuki J; Takano M
J Phys Chem B; 2017 May; 121(18):4669-4677. PubMed ID: 28426223
[TBL] [Abstract][Full Text] [Related]
4. Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method.
Sun Y; He X; Hou T; Cai L; Man VH; Wang J
J Comput Chem; 2023 May; 44(14):1334-1346. PubMed ID: 36807356
[TBL] [Abstract][Full Text] [Related]
5. An n log n Generalized Born Approximation.
Anandakrishnan R; Daga M; Onufriev AV
J Chem Theory Comput; 2011 Mar; 7(3):544-59. PubMed ID: 26596289
[TBL] [Abstract][Full Text] [Related]
6. Generalized born model with a simple smoothing function.
Im W; Lee MS; Brooks CL
J Comput Chem; 2003 Nov; 24(14):1691-702. PubMed ID: 12964188
[TBL] [Abstract][Full Text] [Related]
7. Effective Born radii in the generalized Born approximation: the importance of being perfect.
Onufriev A; Case DA; Bashford D
J Comput Chem; 2002 Nov; 23(14):1297-304. PubMed ID: 12214312
[TBL] [Abstract][Full Text] [Related]
8. FACTS: Fast analytical continuum treatment of solvation.
Haberthür U; Caflisch A
J Comput Chem; 2008 Apr; 29(5):701-15. PubMed ID: 17918282
[TBL] [Abstract][Full Text] [Related]
9. Electrostatic solvation energy for two oppositely charged ions in a solvated protein system: salt bridges can stabilize proteins.
Gong H; Freed KF
Biophys J; 2010 Feb; 98(3):470-7. PubMed ID: 20141761
[TBL] [Abstract][Full Text] [Related]
10. Treecode-based generalized Born method.
Xu Z; Cheng X; Yang H
J Chem Phys; 2011 Feb; 134(6):064107. PubMed ID: 21322661
[TBL] [Abstract][Full Text] [Related]
11. Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii.
Fogolari F; Corazza A; Yarra V; Jalaru A; Viglino P; Esposito G
BMC Bioinformatics; 2012 Mar; 13 Suppl 4(Suppl 4):S18. PubMed ID: 22536964
[TBL] [Abstract][Full Text] [Related]
12. Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges.
Marenich AV; Olson RM; Kelly CP; Cramer CJ; Truhlar DG
J Chem Theory Comput; 2007 Nov; 3(6):2011-33. PubMed ID: 26636198
[TBL] [Abstract][Full Text] [Related]
13. Multiscale generalized born modeling of ligand binding energies for virtual database screening.
Liu HY; Grinter SZ; Zou X
J Phys Chem B; 2009 Sep; 113(35):11793-9. PubMed ID: 19678651
[TBL] [Abstract][Full Text] [Related]
14. Competition between Born solvation, dielectric exclusion, and Coulomb attraction in spherical nanopores.
Hennequin T; Manghi M; Palmeri J
Phys Rev E; 2021 Oct; 104(4-1):044601. PubMed ID: 34781526
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Dielectric relaxation of cytochrome c oxidase: Comparison of the microscopic and continuum models.
Leontyev IV; Stuchebrukhov AA
J Chem Phys; 2009 Feb; 130(8):085103. PubMed ID: 19256628
[TBL] [Abstract][Full Text] [Related]
17. Ionic strength independence of charge distributions in solvation of biomolecules.
Virtanen JJ; Sosnick TR; Freed KF
J Chem Phys; 2014 Dec; 141(22):22D503. PubMed ID: 25494774
[TBL] [Abstract][Full Text] [Related]
18. Theory and applications of the generalized Born solvation model in macromolecular simulations.
Tsui V; Case DA
Biopolymers; 2000-2001; 56(4):275-91. PubMed ID: 11754341
[TBL] [Abstract][Full Text] [Related]
19. Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations.
Yang X; Lei H; Gao P; Thomas DG; Mobley DL; Baker NA
J Chem Theory Comput; 2018 Feb; 14(2):759-767. PubMed ID: 29293342
[TBL] [Abstract][Full Text] [Related]
20. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.
Sun H; Wen J; Zhao Y; Li B; McCammon JA
J Chem Phys; 2015 Dec; 143(24):243110. PubMed ID: 26723595
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]