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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

396 related articles for article (PubMed ID: 15837170)

  • 41. Implicit membrane models for membrane protein simulation.
    Feig M
    Methods Mol Biol; 2008; 443():181-96. PubMed ID: 18446288
    [TBL] [Abstract][Full Text] [Related]  

  • 42. 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]  

  • 43. 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]  

  • 44. Constant pH molecular dynamics in generalized Born implicit solvent.
    Mongan J; Case DA; McCammon JA
    J Comput Chem; 2004 Dec; 25(16):2038-48. PubMed ID: 15481090
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.
    Komeiji Y; Ishikawa T; Mochizuki Y; Yamataka H; Nakano T
    J Comput Chem; 2009 Jan; 30(1):40-50. PubMed ID: 18504778
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Surface-hopping dynamics and decoherence with quantum equilibrium structure.
    Grunwald R; Kim H; Kapral R
    J Chem Phys; 2008 Apr; 128(16):164110. PubMed ID: 18447424
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Molecular dynamics simulations.
    Lindahl ER
    Methods Mol Biol; 2008; 443():3-23. PubMed ID: 18446279
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?
    Morgado C; Vincent MA; Hillier IH; Shan X
    Phys Chem Chem Phys; 2007 Jan; 9(4):448-51. PubMed ID: 17216059
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
    Murarka RK; Liwo A; Scheraga HA
    J Chem Phys; 2007 Oct; 127(15):155103. PubMed ID: 17949219
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations.
    Mo Y; Gao J
    J Phys Chem B; 2006 Feb; 110(7):2976-80. PubMed ID: 16494296
    [TBL] [Abstract][Full Text] [Related]  

  • 51. On the convergence improvement in the metadynamics simulations: a Wang-Landau recursion approach.
    Min D; Liu Y; Carbone I; Yang W
    J Chem Phys; 2007 May; 126(19):194104. PubMed ID: 17523795
    [TBL] [Abstract][Full Text] [Related]  

  • 52. 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]  

  • 53. Structure and dynamics of end-to-end loop formation of the penta-peptide Cys-Ala-Gly-Gln-Trp in implicit solvents.
    Yeh IC; Wallqvist A
    J Phys Chem B; 2009 Sep; 113(36):12382-90. PubMed ID: 19685925
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulations.
    Sagui C; Pomorski P; Darden TA; Roland C
    J Chem Phys; 2004 Mar; 120(9):4530-44. PubMed ID: 15268621
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Adaptive partitioning in combined quantum mechanical and molecular mechanical calculations of potential energy functions for multiscale simulations.
    Heyden A; Lin H; Truhlar DG
    J Phys Chem B; 2007 Mar; 111(9):2231-41. PubMed ID: 17288477
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Competition between intramolecular hydrogen bonds and solvation in phosphorylated peptides: simulations with explicit and implicit solvent.
    Wong SE; Bernacki K; Jacobson M
    J Phys Chem B; 2005 Mar; 109(11):5249-58. PubMed ID: 16863191
    [TBL] [Abstract][Full Text] [Related]  

  • 57. Limitations of atom-centered dielectric functions in implicit solvent models.
    Swanson JM; Mongan J; McCammon JA
    J Phys Chem B; 2005 Aug; 109(31):14769-72. PubMed ID: 16852866
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditions.
    Gidofalvi G; Mazziotti DA
    J Chem Phys; 2007 Jan; 126(2):024105. PubMed ID: 17228941
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy.
    Kwac K; Lee C; Jung Y; Han J; Kwak K; Zheng J; Fayer MD; Cho M
    J Chem Phys; 2006 Dec; 125(24):244508. PubMed ID: 17199356
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling.
    Schiffer C; Hermans J
    Methods Enzymol; 2003; 374():412-61. PubMed ID: 14696384
    [No Abstract]   [Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 20.