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624 related items for PubMed ID: 24628147
1. 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 14; 140(10):104102. PubMed ID: 24628147 [Abstract] [Full Text] [Related]
2. Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics. Bauer S, Tavan P, Mathias G. J Chem Phys; 2014 Mar 14; 140(10):104103. PubMed ID: 24628148 [Abstract] [Full Text] [Related]
3. Electrostatics of proteins in dielectric solvent continua. II. First applications in molecular dynamics simulations. Stork M, Tavan P. J Chem Phys; 2007 Apr 28; 126(16):165106. PubMed ID: 17477638 [Abstract] [Full Text] [Related]
7. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model. Patel S, Mackerell AD, Brooks CL. J Comput Chem; 2004 Sep 28; 25(12):1504-14. PubMed ID: 15224394 [Abstract] [Full Text] [Related]
8. Electrostatic free energy and its variations in implicit solvent models. Che J, Dzubiella J, Li B, McCammon JA. J Phys Chem B; 2008 Mar 13; 112(10):3058-69. PubMed ID: 18275182 [Abstract] [Full Text] [Related]
10. Implicit solvation based on generalized Born theory in different dielectric environments. Feig M, Im W, Brooks CL. J Chem Phys; 2004 Jan 08; 120(2):903-11. PubMed ID: 15267926 [Abstract] [Full Text] [Related]
11. 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 08; 3(6):2011-33. PubMed ID: 26636198 [Abstract] [Full Text] [Related]
13. Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory. Bardhan JP. J Chem Phys; 2008 Oct 14; 129(14):144105. PubMed ID: 19045132 [Abstract] [Full Text] [Related]
14. Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm. Zhang Q, Beard DA, Schlick T. J Comput Chem; 2003 Dec 14; 24(16):2063-74. PubMed ID: 14531059 [Abstract] [Full Text] [Related]
15. Nonuniform charge scaling (NUCS): a practical approximation of solvent electrostatic screening in proteins. Schwarzl SM, Huang D, Smith JC, Fischer S. J Comput Chem; 2005 Oct 14; 26(13):1359-71. PubMed ID: 16021598 [Abstract] [Full Text] [Related]