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 *

584 related articles for article (PubMed ID: 16542063)

  • 1. Configurational constant pressure molecular dynamics.
    Braga C; Travis KP
    J Chem Phys; 2006 Mar; 124(10):104102. PubMed ID: 16542063
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A configurational temperature Nosé-Hoover thermostat.
    Braga C; Travis KP
    J Chem Phys; 2005 Oct; 123(13):134101. PubMed ID: 16223269
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. III. Discontinuous potentials.
    Uline MJ; Corti DS
    J Chem Phys; 2008 Jul; 129(1):014107. PubMed ID: 18624470
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. II. Simulation results.
    Uline MJ; Corti DS
    J Chem Phys; 2005 Oct; 123(16):164102. PubMed ID: 16268676
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: a strategy based on the equations of motion.
    Chelli R; Marsili S; Barducci A; Procacci P
    J Chem Phys; 2007 Jan; 126(4):044502. PubMed ID: 17286482
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Configurational temperature control for atomic and molecular systems.
    Travis KP; Braga C
    J Chem Phys; 2008 Jan; 128(1):014111. PubMed ID: 18190189
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Multibaric-multithermal ensemble molecular dynamics simulations.
    Okumura H; Okamoto Y
    J Comput Chem; 2006 Feb; 27(3):379-95. PubMed ID: 16381079
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular dynamics in the isothermal-isobaric ensemble: the requirement of a "shell" molecule. I. Theory and phase-space analysis.
    Uline MJ; Corti DS
    J Chem Phys; 2005 Oct; 123(16):164101. PubMed ID: 16268675
    [TBL] [Abstract][Full Text] [Related]  

  • 9. A deterministic thermostat for controlling temperature using all degrees of freedom.
    Patra PK; Bhattacharya B
    J Chem Phys; 2014 Feb; 140(6):064106. PubMed ID: 24527899
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Isothermal-isobaric molecular dynamics using stochastic velocity rescaling.
    Bussi G; Zykova-Timan T; Parrinello M
    J Chem Phys; 2009 Feb; 130(7):074101. PubMed ID: 19239278
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The Jarzynski identity derived from general Hamiltonian or non-Hamiltonian dynamics reproducing NVT or NPT ensembles.
    Cuendet MA
    J Chem Phys; 2006 Oct; 125(14):144109. PubMed ID: 17042581
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Pressure derivatives in the classical molecular-dynamics ensemble.
    Meier K; Kabelac S
    J Chem Phys; 2006 Feb; 124(6):64104. PubMed ID: 16483193
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Langevin dynamics in constant pressure extended systems.
    Quigley D; Probert MI
    J Chem Phys; 2004 Jun; 120(24):11432-41. PubMed ID: 15268177
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular dynamics simulation of confined fluids in isosurface-isothermal-isobaric ensemble.
    Eslami H; Mozaffari F; Moghadasi J; Müller-Plathe F
    J Chem Phys; 2008 Nov; 129(19):194702. PubMed ID: 19026076
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An ergodic configurational thermostat using selective control of higher order temperatures.
    Patra PK; Bhattacharya B
    J Chem Phys; 2015 May; 142(19):194103. PubMed ID: 26001443
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Rigid-body dynamics in the isothermal-isobaric ensemble: a test on the accuracy and computational efficiency.
    Shinoda W; Mikami M
    J Comput Chem; 2003 Jun; 24(8):920-30. PubMed ID: 12720312
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular simulation of dendrimers and their mixtures under shear: comparison of isothermal-isobaric (NpT) and isothermal-isochoric (NVT) ensemble systems.
    Bosko JT; Todd BD; Sadus RJ
    J Chem Phys; 2005 Jul; 123(3):34905. PubMed ID: 16080761
    [TBL] [Abstract][Full Text] [Related]  

  • 18. On the calculation of velocity-dependent properties in molecular dynamics simulations using the leapfrog integration algorithm.
    Cuendet MA; van Gunsteren WF
    J Chem Phys; 2007 Nov; 127(18):184102. PubMed ID: 18020625
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Time reversible and symplectic integrators for molecular dynamics simulations of rigid molecules.
    Kamberaj H; Low RJ; Neal MP
    J Chem Phys; 2005 Jun; 122(22):224114. PubMed ID: 15974658
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular dynamics simulation in the grand canonical ensemble.
    Eslami H; Müller-Plathe F
    J Comput Chem; 2007 Jul; 28(10):1763-73. PubMed ID: 17342717
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 30.