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 *

407 related articles for article (PubMed ID: 15481090)

  • 1. 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]  

  • 2. Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation.
    Bürgi R; Kollman PA; Van Gunsteren WF
    Proteins; 2002 Jun; 47(4):469-80. PubMed ID: 12001225
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Predicting the acid/base behavior of proteins: a constant-pH Monte Carlo approach with generalized born solvent.
    Aleksandrov A; Polydorides S; Archontis G; Simonson T
    J Phys Chem B; 2010 Aug; 114(32):10634-48. PubMed ID: 20701391
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The combined simulation approach of atomistic and continuum models for the thermodynamics of lysozyme crystals.
    Chang J; Lenhoff AM; Sandler SI
    J Phys Chem B; 2005 Oct; 109(41):19507-15. PubMed ID: 16853520
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Modeling of protein conformational fluctuations in pKa predictions.
    Zhou HX; Vijayakumar M
    J Mol Biol; 1997 Apr; 267(4):1002-11. PubMed ID: 9135126
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Acidic range titration of HEWL using a constant-pH molecular dynamics method.
    Machuqueiro M; Baptista AM
    Proteins; 2008 Jul; 72(1):289-98. PubMed ID: 18214978
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Biomolecular simulations at constant pH.
    Mongan J; Case DA
    Curr Opin Struct Biol; 2005 Apr; 15(2):157-63. PubMed ID: 15837173
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Effects of solute-solvent proton exchange on polypeptide chain dynamics: a constant-pH molecular dynamics study.
    Długosz M; Antosiewicz JM
    J Phys Chem B; 2005 Jul; 109(28):13777-84. PubMed ID: 16852726
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Monte Carlo simulations of proteins at constant pH with generalized Born solvent, flexible sidechains, and an effective dielectric boundary.
    Polydorides S; Simonson T
    J Comput Chem; 2013 Dec; 34(31):2742-56. PubMed ID: 24122878
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Atomically detailed simulations of concentrated protein solutions: the effects of salt, pH, point mutations, and protein concentration in simulations of 1000-molecule systems.
    McGuffee SR; Elcock AH
    J Am Chem Soc; 2006 Sep; 128(37):12098-110. PubMed ID: 16967959
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Mapping electron paramagnetic resonance spin label conformations by the simulated scaling method.
    Fajer MI; Li H; Yang W; Fajer PG
    J Am Chem Soc; 2007 Nov; 129(45):13840-6. PubMed ID: 17948993
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Specific ion effects in solutions of globular proteins: comparison between analytical models and simulation.
    Boström M; Tavares FW; Bratko D; Ninham BW
    J Phys Chem B; 2005 Dec; 109(51):24489-94. PubMed ID: 16375452
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate and efficient generalized born model based on solvent accessibility: derivation and application for LogP octanol/water prediction and flexible peptide docking.
    Totrov M
    J Comput Chem; 2004 Mar; 25(4):609-19. PubMed ID: 14735578
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Toward the accurate first-principles prediction of ionization equilibria in proteins.
    Khandogin J; Brooks CL
    Biochemistry; 2006 Aug; 45(31):9363-73. PubMed ID: 16878971
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An evaluation of implicit and explicit solvent model systems for the molecular dynamics simulation of bacteriophage T4 lysozyme.
    Arnold GE; Ornstein RL
    Proteins; 1994 Jan; 18(1):19-33. PubMed ID: 8146120
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Prediction of titration properties of structures of a protein derived from molecular dynamics trajectories.
    Wlodek ST; Antosiewicz J; McCammon JA
    Protein Sci; 1997 Feb; 6(2):373-82. PubMed ID: 9041639
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations.
    Okamoto Y
    J Mol Graph Model; 2004 May; 22(5):425-39. PubMed ID: 15099838
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Comparative study of generalized born models: Born radii and peptide folding.
    Zhu J; Alexov E; Honig B
    J Phys Chem B; 2005 Feb; 109(7):3008-22. PubMed ID: 16851315
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Conformational energy landscape of the acyl pocket loop in acetylcholinesterase: a Monte Carlo-generalized Born model study.
    Carlacci L; Millard CB; Olson MA
    Biophys Chem; 2004 Oct; 111(2):143-57. PubMed ID: 15381312
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.