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 *

404 related articles for article (PubMed ID: 15267476)

  • 1. Calculating potentials of mean force from steered molecular dynamics simulations.
    Park S; Schulten K
    J Chem Phys; 2004 Apr; 120(13):5946-61. PubMed ID: 15267476
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Calculating potentials of mean force and diffusion coefficients from nonequilibrium processes without Jarzynski's equality.
    Kosztin I; Barz B; Janosi L
    J Chem Phys; 2006 Feb; 124(6):64106. PubMed ID: 16483195
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation.
    Hung SW; Hsiao PY; Chieng CC
    J Chem Phys; 2011 May; 134(19):194705. PubMed ID: 21599080
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Equilibrium free energy estimates based on nonequilibrium work relations and extended dynamics.
    Atilgan E; Sun SX
    J Chem Phys; 2004 Dec; 121(21):10392-400. PubMed ID: 15549919
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Efficient use of nonequilibrium measurement to estimate free energy differences for molecular systems.
    Ytreberg FM; Zuckerman DM
    J Comput Chem; 2004 Nov; 25(14):1749-59. PubMed ID: 15362132
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Springs and speeds in free energy reconstruction from irreversible single-molecule pulling experiments.
    Minh DD; McCammon JA
    J Phys Chem B; 2008 May; 112(19):5892-7. PubMed ID: 18088108
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Direct determination of reaction paths and stationary points on potential of mean force surfaces.
    Li G; Cui Q
    J Mol Graph Model; 2005 Oct; 24(2):82-93. PubMed ID: 16005650
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Free energy surfaces from single-molecule force spectroscopy.
    Hummer G; Szabo A
    Acc Chem Res; 2005 Jul; 38(7):504-13. PubMed ID: 16028884
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. Lessons learned about steered molecular dynamics simulations and free energy calculations.
    Boubeta FM; Contestín García RM; Lorenzo EN; Boechi L; Estrin D; Sued M; Arrar M
    Chem Biol Drug Des; 2019 Jun; 93(6):1129-1138. PubMed ID: 30793836
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Stiff Spring Approximation Revisited: Inertial Effects in Nonequilibrium Trajectories.
    Nategholeslam M; Gray CG; Tomberli B
    J Phys Chem B; 2017 Jan; 121(2):391-403. PubMed ID: 27959538
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ordering of limits in the Jarzynski equality.
    Pressé S; Silbey R
    J Chem Phys; 2006 Feb; 124(5):054117. PubMed ID: 16468861
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Equilibrium information from nonequilibrium measurements in an experimental test of Jarzynski's equality.
    Liphardt J; Dumont S; Smith SB; Tinoco I; Bustamante C
    Science; 2002 Jun; 296(5574):1832-5. PubMed ID: 12052949
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Optimizing the switching function for nonequilibrium free-energy calculations: an on-the-fly approach.
    Lindberg GE; Berkelbach TC; Wang F
    J Chem Phys; 2009 May; 130(17):174705. PubMed ID: 19425796
    [TBL] [Abstract][Full Text] [Related]  

  • 16. On the use of local diffusion models for path ensemble averaging in potential of mean force computations.
    Calderon CP
    J Chem Phys; 2007 Feb; 126(8):084106. PubMed ID: 17343439
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Unbinding pathway energy of glyphosate from the EPSPs enzyme binding site characterized by Steered Molecular Dynamics and Potential of Mean Force.
    Ferreira MF; Franca EF; Leite FL
    J Mol Graph Model; 2017 Mar; 72():43-49. PubMed ID: 28033555
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Thermodynamics of Decaalanine Stretching in Water Obtained by Adaptive Steered Molecular Dynamics Simulations.
    Ozer G; Quirk S; Hernandez R
    J Chem Theory Comput; 2012 Nov; 8(11):4837-44. PubMed ID: 26605636
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Adaptive steered molecular dynamics: validation of the selection criterion and benchmarking energetics in vacuum.
    Ozer G; Quirk S; Hernandez R
    J Chem Phys; 2012 Jun; 136(21):215104. PubMed ID: 22697572
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The rectified second law of thermodynamics.
    Ben-Amotz D; Honig JM
    J Phys Chem B; 2006 Oct; 110(40):19966-72. PubMed ID: 17020383
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 21.