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 *

235 related articles for article (PubMed ID: 17949131)

  • 1. Selective sampling of transition paths.
    Fu X; Yang L; Gao YQ
    J Chem Phys; 2007 Oct; 127(15):154106. PubMed ID: 17949131
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Self-adaptive enhanced sampling in the energy and trajectory spaces: accelerated thermodynamics and kinetic calculations.
    Gao YQ
    J Chem Phys; 2008 Apr; 128(13):134111. PubMed ID: 18397057
    [TBL] [Abstract][Full Text] [Related]  

  • 4. New shooting algorithms for transition path sampling: centering moves and varied-perturbation sizes for improved sampling.
    Rowley CN; Woo TK
    J Chem Phys; 2009 Dec; 131(23):234102. PubMed ID: 20025309
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Bias annealing: a method for obtaining transition paths de novo.
    Hu J; Ma A; Dinner AR
    J Chem Phys; 2006 Sep; 125(11):114101. PubMed ID: 16999460
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Simulating rare events in equilibrium or nonequilibrium stochastic systems.
    Allen RJ; Frenkel D; ten Wolde PR
    J Chem Phys; 2006 Jan; 124(2):024102. PubMed ID: 16422566
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Path sampling calculation of methane diffusivity in natural gas hydrates from a water-vacancy assisted mechanism.
    Peters B; Zimmermann NE; Beckham GT; Tester JW; Trout BL
    J Am Chem Soc; 2008 Dec; 130(51):17342-50. PubMed ID: 19053189
    [TBL] [Abstract][Full Text] [Related]  

  • 8. On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: A review.
    Christen M; van Gunsteren WF
    J Comput Chem; 2008 Jan; 29(2):157-66. PubMed ID: 17570138
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular dissociation of hydrogen peroxide (HOOH) on a neural network ab initio potential surface with a new configuration sampling method involving gradient fitting.
    Le HM; Huynh S; Raff LM
    J Chem Phys; 2009 Jul; 131(1):014107. PubMed ID: 19586096
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. An integrate-over-temperature approach for enhanced sampling.
    Gao YQ
    J Chem Phys; 2008 Feb; 128(6):064105. PubMed ID: 18282026
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study.
    de Oliveira CA; Hamelberg D; McCammon JA
    J Chem Phys; 2007 Nov; 127(17):175105. PubMed ID: 17994855
    [TBL] [Abstract][Full Text] [Related]  

  • 14. From transition paths to transition states and rate coefficients.
    Hummer G
    J Chem Phys; 2004 Jan; 120(2):516-23. PubMed ID: 15267886
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Improved transition path sampling methods for simulation of rare events.
    Chopra M; Malshe R; Reddy AS; de Pablo JJ
    J Chem Phys; 2008 Apr; 128(14):144104. PubMed ID: 18412420
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Simulating the kinetics and thermodynamics of transitions via forward flux/umbrella sampling.
    Borrero EE; Escobedo FA
    J Phys Chem B; 2009 May; 113(18):6434-45. PubMed ID: 19402728
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Rare events via multiple reaction channels sampled by path replica exchange.
    Bolhuis PG
    J Chem Phys; 2008 Sep; 129(11):114108. PubMed ID: 19044951
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Precision shooting: Sampling long transition pathways.
    Grünwald M; Dellago C; Geissler PL
    J Chem Phys; 2008 Nov; 129(19):194101. PubMed ID: 19026039
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulations.
    Loccisano AE; Acevedo O; DeChancie J; Schulze BG; Evanseck JD
    J Mol Graph Model; 2004 May; 22(5):369-76. PubMed ID: 15099833
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.