504 related articles for article (PubMed ID: 11031278)
1. Generalized born models of macromolecular solvation effects.
Bashford D; Case DA
Annu Rev Phys Chem; 2000; 51():129-52. PubMed ID: 11031278
[TBL] [Abstract][Full Text] [Related]
2. Generalized Born Implicit Solvent Models for Biomolecules.
Onufriev AV; Case DA
Annu Rev Biophys; 2019 May; 48():275-296. PubMed ID: 30857399
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Optimized parameters for continuum solvation calculations with carbohydrates.
Green DF
J Phys Chem B; 2008 Apr; 112(16):5238-49. PubMed ID: 18386862
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model.
Zhao DX; Yu L; Gong LD; Liu C; Yang ZZ
J Chem Phys; 2011 May; 134(19):194115. PubMed ID: 21599052
[TBL] [Abstract][Full Text] [Related]
7. Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.
Bauer S; Mathias G; Tavan P
J Chem Phys; 2014 Mar; 140(10):104102. PubMed ID: 24628147
[TBL] [Abstract][Full Text] [Related]
8. The dependence of electrostatic solvation energy on dielectric constants in Poisson-Boltzmann calculations.
Tjong H; Zhou HX
J Chem Phys; 2006 Nov; 125(20):206101. PubMed ID: 17144745
[TBL] [Abstract][Full Text] [Related]
9. Second derivatives in generalized Born theory.
Brown RA; Case DA
J Comput Chem; 2006 Nov; 27(14):1662-75. PubMed ID: 16900491
[TBL] [Abstract][Full Text] [Related]
10. Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules.
Prabhu NV; Panda M; Yang Q; Sharp KA
J Comput Chem; 2008 May; 29(7):1113-30. PubMed ID: 18074338
[TBL] [Abstract][Full Text] [Related]
11. Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?
Morreale A; de la Cruz X; Meyer T; Gelpí JL; Luque FJ; Orozco M
Proteins; 2004 Nov; 57(3):458-67. PubMed ID: 15382247
[TBL] [Abstract][Full Text] [Related]
12. Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects.
Levy RM; Gallicchio E
Annu Rev Phys Chem; 1998; 49():531-67. PubMed ID: 9933909
[TBL] [Abstract][Full Text] [Related]
13. Proton binding to proteins: pK(a) calculations with explicit and implicit solvent models.
Simonson T; Carlsson J; Case DA
J Am Chem Soc; 2004 Apr; 126(13):4167-80. PubMed ID: 15053606
[TBL] [Abstract][Full Text] [Related]
14. Implicit solvent simulations of DNA and DNA-protein complexes: agreement with explicit solvent vs experiment.
Chocholousová J; Feig M
J Phys Chem B; 2006 Aug; 110(34):17240-51. PubMed ID: 16928023
[TBL] [Abstract][Full Text] [Related]
15. Three-dielectric-layer hybrid solvation model with spheroidal cavities in biomolecular simulations.
Xue C; Deng S
Phys Rev E Stat Nonlin Soft Matter Phys; 2010 Jan; 81(1 Pt 2):016701. PubMed ID: 20365496
[TBL] [Abstract][Full Text] [Related]
16. Restoring charge asymmetry in continuum electrostatics calculations of hydration free energies.
Purisima EO; Sulea T
J Phys Chem B; 2009 Jun; 113(24):8206-9. PubMed ID: 19459599
[TBL] [Abstract][Full Text] [Related]
17. Direct observation of salt effects on molecular interactions through explicit-solvent molecular dynamics simulations: differential effects on electrostatic and hydrophobic interactions and comparisons to Poisson-Boltzmann theory.
Thomas AS; Elcock AH
J Am Chem Soc; 2006 Jun; 128(24):7796-806. PubMed ID: 16771493
[TBL] [Abstract][Full Text] [Related]
18. Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution.
Egwolf B; Tavan P
J Chem Phys; 2004 Jan; 120(4):2056-68. PubMed ID: 15268342
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
Vorobjev YN; Almagro JC; Hermans J
Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
