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 *

172 related articles for article (PubMed ID: 19392249)

  • 1. Classical simulation of quantum energy flow in biomolecules.
    Stock G
    Phys Rev Lett; 2009 Mar; 102(11):118301. PubMed ID: 19392249
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Vibrational energy transport in the presence of intrasite vibrational energy redistribution.
    Schade M; Hamm P
    J Chem Phys; 2009 Jul; 131(4):044511. PubMed ID: 19655898
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations.
    Li H; Fajer M; Yang W
    J Chem Phys; 2007 Jan; 126(2):024106. PubMed ID: 17228942
    [TBL] [Abstract][Full Text] [Related]  

  • 4. IR spectra of N-methylacetamide in water predicted by combined quantum mechanical/molecular mechanical molecular dynamics simulations.
    Yang S; Cho M
    J Chem Phys; 2005 Oct; 123(13):134503. PubMed ID: 16223310
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Modeling vibrational resonance in linear hydrocarbon chain with a mixed quantum-classical method.
    Gelman D; Schwartz SD
    J Chem Phys; 2009 Apr; 130(13):134110. PubMed ID: 19355720
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Quantum Corrections to the Free Energy Difference between Peptides and Proteins Conformers.
    Cecchini M
    J Chem Theory Comput; 2015 Sep; 11(9):4011-22. PubMed ID: 26575897
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computational vibrational spectroscopy of peptides and proteins in one and two dimensions.
    Jeon J; Yang S; Choi JH; Cho M
    Acc Chem Res; 2009 Sep; 42(9):1280-9. PubMed ID: 19456096
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Mixed quantum mechanical/molecular mechanical simulations of chemical reactions in solution and in enzymes by the classical trajectory mapping approach.
    Pan JJ; Hwang JK
    Pac Symp Biocomput; 1996; ():539-49. PubMed ID: 9390257
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Quantum simulation of ferrocytochrome c.
    Zheng C; Wong CF; McCammon JA; Wolynes PG
    Nature; 1988 Aug; 334(6184):726-8. PubMed ID: 2842687
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.
    Gao J; Major DT; Fan Y; Lin YL; Ma S; Wong KY
    Methods Mol Biol; 2008; 443():37-62. PubMed ID: 18446281
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multicanonical ab inito QM/MM molecular dynamics simulation of a peptide in an aqueous environment.
    Jono R; Watanabe Y; Shimizu K; Terada T
    J Comput Chem; 2010 Apr; 31(6):1168-75. PubMed ID: 19847783
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Improving implicit solvent simulations: a Poisson-centric view.
    Baker NA
    Curr Opin Struct Biol; 2005 Apr; 15(2):137-43. PubMed ID: 15837170
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Coherent vibrational energy transfer along a peptide helix.
    Kobus M; Nguyen PH; Stock G
    J Chem Phys; 2011 Mar; 134(12):124518. PubMed ID: 21456687
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Simulation of coherent energy transfer in an alpha-helical peptide by Fermi resonance.
    Clarke DL; Collins MA
    Biophys J; 1992 Feb; 61(2):316-33. PubMed ID: 1547322
    [TBL] [Abstract][Full Text] [Related]  

  • 16. New mixed quantumsemiclassical propagation method.
    Antoniou D; Gelman D; Schwartz SD
    J Chem Phys; 2007 May; 126(18):184107. PubMed ID: 17508792
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Conformational modes in biomolecules: dynamics and approximate invariance.
    Potapov A; Stepanova M
    Phys Rev E Stat Nonlin Soft Matter Phys; 2012 Feb; 85(2 Pt 1):020901. PubMed ID: 22463145
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nonadiabatic dynamics of condensed phase rate processes.
    Hanna G; Kapral R
    Acc Chem Res; 2006 Jan; 39(1):21-7. PubMed ID: 16411736
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces.
    Pratihar S; Barnes GL; Hase WL
    Chem Soc Rev; 2016 Jul; 45(13):3595-608. PubMed ID: 26563571
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.