BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

164 related articles for article (PubMed ID: 27782441)

  • 1. 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]  

  • 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. 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]  

  • 4. 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]  

  • 5. 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]  

  • 6. 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]  

  • 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. 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]  

  • 9. Structure of a sheared soft-disk fluid from a nonequilibrium potential.
    Baig C; Kalyuzhnyi YV; Cui ST; Cochran HD
    Phys Rev E Stat Nonlin Soft Matter Phys; 2004 Dec; 70(6 Pt 1):061204. PubMed ID: 15697346
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Nonequilibrium Monte Carlo simulations of entangled polymer melts under steady shear flow.
    Roh EJ; Baig C
    Soft Matter; 2019 Jul; 15(26):5271-5281. PubMed ID: 31211321
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Driving Structural Transitions in Molecular Simulations Using the Nonequilibrium Candidate Monte Carlo.
    Kurut A; Fonseca R; Boomsma W
    J Phys Chem B; 2018 Jan; 122(3):1195-1204. PubMed ID: 29260565
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. 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]  

  • 15. Linear-Response and Nonlinear-Response Formulations of the Instantaneous Marcus Theory for Nonequilibrium Photoinduced Charge Transfer.
    Brian D; Sun X
    J Chem Theory Comput; 2021 Apr; 17(4):2065-2079. PubMed ID: 33687212
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Finite domain simulations with adaptive boundaries: accurate potentials and nonequilibrium movesets.
    Wagoner JA; Pande VS
    J Chem Phys; 2013 Dec; 139(23):234114. PubMed ID: 24359359
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Simulating proteins at constant pH: An approach combining molecular dynamics and Monte Carlo simulation.
    Bürgi R; Kollman PA; Van Gunsteren WF
    Proteins; 2002 Jun; 47(4):469-80. PubMed ID: 12001225
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Simulation of dose deposition in stereotactic synchrotron radiation therapy: a fast approach combining Monte Carlo and deterministic algorithms.
    Smekens F; Freud N; Létang JM; Adam JF; Ferrero C; Elleaume H; Bravin A; Estève F; Babot D
    Phys Med Biol; 2009 Aug; 54(15):4671-85. PubMed ID: 19590114
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.