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 *

221 related articles for article (PubMed ID: 21054009)

  • 1. Nonlinear reaction coordinate analysis in the reweighted path ensemble.
    Lechner W; Rogal J; Juraszek J; Ensing B; Bolhuis PG
    J Chem Phys; 2010 Nov; 133(17):174110. PubMed ID: 21054009
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The reweighted path ensemble.
    Rogal J; Lechner W; Juraszek J; Ensing B; Bolhuis PG
    J Chem Phys; 2010 Nov; 133(17):174109. PubMed ID: 21054008
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular mechanism of acid-catalyzed hydrolysis of peptide bonds using a model compound.
    Pan B; Ricci MS; Trout BL
    J Phys Chem B; 2010 Apr; 114(13):4389-99. PubMed ID: 20297769
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Extensions to the likelihood maximization approach for finding reaction coordinates.
    Peters B; Beckham GT; Trout BL
    J Chem Phys; 2007 Jul; 127(3):034109. PubMed ID: 17655433
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Obtaining reaction coordinates by likelihood maximization.
    Peters B; Trout BL
    J Chem Phys; 2006 Aug; 125(5):054108. PubMed ID: 16942204
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Path ensembles and path sampling in nonequilibrium stochastic systems.
    Harland B; Sun SX
    J Chem Phys; 2007 Sep; 127(10):104103. PubMed ID: 17867733
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Computer simulations of homogeneous nucleation of benzene from the melt.
    Shah M; Santiso EE; Trout BL
    J Phys Chem B; 2011 Sep; 115(35):10400-12. PubMed ID: 21786769
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble.
    Lechner W; Dellago C; Bolhuis PG
    J Chem Phys; 2011 Oct; 135(15):154110. PubMed ID: 22029300
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations.
    Velez-Vega C; Borrero EE; Escobedo FA
    J Chem Phys; 2010 Sep; 133(10):105103. PubMed ID: 20849192
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Path integral hybrid Monte Carlo algorithm for correlated Bose fluids.
    Miura S; Tanaka J
    J Chem Phys; 2004 Feb; 120(5):2160-8. PubMed ID: 15268354
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
    Spiwok V; Králová B
    J Chem Phys; 2011 Dec; 135(22):224504. PubMed ID: 22168700
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Transition path sampling of water exchange rates and mechanisms around aqueous ions.
    Kerisit S; Rosso KM
    J Chem Phys; 2009 Sep; 131(11):114512. PubMed ID: 19778134
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Optimizing reaction coordinate by flux maximization in the transition path ensemble.
    Li W
    J Chem Phys; 2022 Feb; 156(5):054117. PubMed ID: 35135266
    [TBL] [Abstract][Full Text] [Related]  

  • 15. How enzyme dynamics helps catalyze a reaction in atomic detail: a transition path sampling study.
    Basner JE; Schwartz SD
    J Am Chem Soc; 2005 Oct; 127(40):13822-31. PubMed ID: 16201803
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Generation of initial trajectories for transition path sampling of chemical reactions with ab initio molecular dynamics.
    Rowley CN; Woo TK
    J Chem Phys; 2007 Jan; 126(2):024110. PubMed ID: 17228946
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.
    Wang Q; Hammes-Schiffer S
    J Chem Phys; 2006 Nov; 125(18):184102. PubMed ID: 17115733
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Data cloning: easy maximum likelihood estimation for complex ecological models using Bayesian Markov chain Monte Carlo methods.
    Lele SR; Dennis B; Lutscher F
    Ecol Lett; 2007 Jul; 10(7):551-63. PubMed ID: 17542934
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Isochronal sampling in non-Boltzmann Monte Carlo methods.
    Abreu CR
    J Chem Phys; 2009 Oct; 131(15):154113. PubMed ID: 20568853
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside.
    Dimelow RJ; Bryce RA; Masters AJ; Hillier IH; Burton NA
    J Chem Phys; 2006 Mar; 124(11):114113. PubMed ID: 16555880
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.