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 *

394 related articles for article (PubMed ID: 25240345)

  • 1. Efficient hybrid non-equilibrium molecular dynamics--Monte Carlo simulations with symmetric momentum reversal.
    Chen Y; Roux B
    J Chem Phys; 2014 Sep; 141(11):114107. PubMed ID: 25240345
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Enhanced Sampling of an Atomic Model with Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulations Guided by a Coarse-Grained Model.
    Chen Y; Roux B
    J Chem Theory Comput; 2015 Aug; 11(8):3572-83. PubMed ID: 26574442
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator.
    Suh D; Radak BK; Chipot C; Roux B
    J Chem Phys; 2018 Jan; 148(1):014101. PubMed ID: 29306299
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics-Monte Carlo simulations.
    Chen Y; Roux B
    J Chem Phys; 2015 Jan; 142(2):024101. PubMed ID: 25591332
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.
    Chen Y; Roux B
    J Chem Theory Comput; 2015 Aug; 11(8):3919-31. PubMed ID: 26300709
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Efficiency in nonequilibrium molecular dynamics Monte Carlo simulations.
    Radak BK; Roux B
    J Chem Phys; 2016 Oct; 145(13):134109. PubMed ID: 27782441
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Configurational Sampling of All-Atom Solvated Membranes Using Hybrid Nonequilibrium Molecular Dynamics Monte Carlo Simulations.
    Szczepaniak F; Dehez F; Roux B
    J Phys Chem Lett; 2024 Apr; 15(14):3796-3804. PubMed ID: 38557030
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Reducing the effect of Metropolization on mixing times in molecular dynamics simulations.
    Wagoner JA; Pande VS
    J Chem Phys; 2012 Dec; 137(21):214105. PubMed ID: 23231215
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
    Radak BK; Chipot C; Suh D; Jo S; Jiang W; Phillips JC; Schulten K; Roux B
    J Chem Theory Comput; 2017 Dec; 13(12):5933-5944. PubMed ID: 29111720
    [TBL] [Abstract][Full Text] [Related]  

  • 10. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method.
    Cezar HM; Canuto S; Coutinho K
    J Chem Inf Model; 2020 Jul; 60(7):3472-3488. PubMed ID: 32470296
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Coarse-grained Monte Carlo simulations of non-equilibrium systems.
    Liu X; Crocker JC; Sinno T
    J Chem Phys; 2013 Jun; 138(24):244111. PubMed ID: 23822231
    [TBL] [Abstract][Full Text] [Related]  

  • 12. py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD.
    Barhaghi MS; Crawford B; Schwing G; Hardy DJ; Stone JE; Schwiebert L; Potoff J; Tajkhorshid E
    J Chem Theory Comput; 2022 Aug; 18(8):4983-4994. PubMed ID: 35621307
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hybrid method coupling molecular dynamics and Monte Carlo simulations to study the properties of gases in microchannels and nanochannels.
    Nedea SV; Frijns AJ; van Steenhoven AA; Markvoort AJ; Hilbers PA
    Phys Rev E Stat Nonlin Soft Matter Phys; 2005 Jul; 72(1 Pt 2):016705. PubMed ID: 16090132
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Multiparticle moves in acceptance rate optimized Monte Carlo.
    Neumann T; Danilov D; Wenzel W
    J Comput Chem; 2015 Nov; 36(30):2236-45. PubMed ID: 26459216
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Monte Carlo vs molecular dynamics for all-atom polypeptide folding simulations.
    Ulmschneider JP; Ulmschneider MB; Di Nola A
    J Phys Chem B; 2006 Aug; 110(33):16733-42. PubMed ID: 16913813
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations.
    Tadano T; Gohda Y; Tsuneyuki S
    J Phys Condens Matter; 2014 Jun; 26(22):225402. PubMed ID: 24824156
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.
    Chen Y; Kale S; Weare J; Dinner AR; Roux B
    J Chem Theory Comput; 2016 Apr; 12(4):1449-1458. PubMed ID: 26918826
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations.
    Okamoto Y
    J Mol Graph Model; 2004 May; 22(5):425-39. PubMed ID: 15099838
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Monte Carlo simulations of biomolecules: The MC module in CHARMM.
    Hu J; Ma A; Dinner AR
    J Comput Chem; 2006 Jan; 27(2):203-16. PubMed ID: 16323162
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations.
    Yang K; Różycki B; Cui F; Shi C; Chen W; Li Y
    PLoS One; 2016; 11(5):e0156043. PubMed ID: 27227775
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 20.