BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

351 related articles for article (PubMed ID: 30134670)

  • 21. Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo.
    Melling OJ; Samways ML; Ge Y; Mobley DL; Essex JW
    J Chem Theory Comput; 2023 Feb; 19(3):1050-1062. PubMed ID: 36692215
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Enabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.
    Pool R; Heringa J; Hoefling M; Schulz R; Smith JC; Feenstra KA
    J Comput Chem; 2012 May; 33(12):1207-14. PubMed ID: 22370965
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.
    Resat H; Mezei M
    Biophys J; 1996 Sep; 71(3):1179-90. PubMed ID: 8873992
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Grand Canonical Monte Carlo Simulations Guided by an Analytic Equation of State-Transferable Anisotropic Mie Potentials for Ethers.
    Hemmen A; Panagiotopoulos AZ; Gross J
    J Phys Chem B; 2015 Jun; 119(23):7087-99. PubMed ID: 25961429
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: development and implementation of the continuous fractional component move.
    Shi W; Maginn EJ
    J Comput Chem; 2008 Nov; 29(15):2520-30. PubMed ID: 18478586
    [TBL] [Abstract][Full Text] [Related]  

  • 27. New Monte Carlo simulation of adsorption of gases on surfaces and in pores: a concept of multibins.
    Fan C; Do DD; Nicholson D
    J Phys Chem B; 2011 Sep; 115(35):10509-17. PubMed ID: 21797285
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Analysis of liquids, gases, and supercritical fluids by a two-dimensional replica-exchange Monte Carlo method in temperature and chemical potential space.
    Matsubara D; Okamoto Y
    J Chem Phys; 2020 May; 152(19):194108. PubMed ID: 33687264
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Parallel canonical Monte Carlo simulations through sequential updating of particles.
    O'Keeffe CJ; Orkoulas G
    J Chem Phys; 2009 Apr; 130(13):134109. PubMed ID: 19355719
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Phase coexistence in heterogeneous porous media: a new extension to Gibbs ensemble Monte Carlo simulation method.
    Puibasset J
    J Chem Phys; 2005 Apr; 122(13):134710. PubMed ID: 15847492
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Temperature and density extrapolations in canonical ensemble monte carlo simulations.
    Ferreira AL; Barroso MA
    Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics; 2000 Feb; 61(2):1195-8. PubMed ID: 11046394
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Mie potentials for phase equilibria calculations: application to alkanes and perfluoroalkanes.
    Potoff JJ; Bernard-Brunel DA
    J Phys Chem B; 2009 Nov; 113(44):14725-31. PubMed ID: 19824622
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Assessment and Optimization of Configurational-Bias Monte Carlo Particle Swap Strategies for Simulations of Water in the Gibbs Ensemble.
    Bai P; Siepmann JI
    J Chem Theory Comput; 2017 Feb; 13(2):431-440. PubMed ID: 28001386
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Multicanonical Monte Carlo ensemble growth algorithm.
    Vernizzi G; Nguyen TD; Orland H; Olvera de la Cruz M
    Phys Rev E; 2020 Feb; 101(2-1):021301. PubMed ID: 32168705
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Monte Carlo Simulation Methods for Computing Liquid-Vapor Saturation Properties of Model Systems.
    Rane KS; Murali S; Errington JR
    J Chem Theory Comput; 2013 Jun; 9(6):2552-66. PubMed ID: 26583852
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Simulation of gas adsorption on a surface and in slit pores with grand canonical and canonical kinetic Monte Carlo methods.
    Ustinov EA; Do DD
    Phys Chem Chem Phys; 2012 Aug; 14(31):11112-8. PubMed ID: 22767023
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods.
    Mahynski NA; Blanco MA; Errington JR; Shen VK
    J Chem Phys; 2017 Feb; 146(7):074101. PubMed ID: 28228029
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble.
    Shen T; Liu Y; Yu Y; Rubenstein BM
    J Chem Phys; 2020 Nov; 153(20):204108. PubMed ID: 33261485
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Efficiency Comparison of Single- and Multiple-Macrostate Grand Canonical Ensemble Transition-Matrix Monte Carlo Simulations.
    Hatch HW; Siderius DW; Errington JR; Shen VK
    J Phys Chem B; 2023 Apr; 127(13):3041-3051. PubMed ID: 36976615
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Continuous Fractional Component Monte Carlo:  An Adaptive Biasing Method for Open System Atomistic Simulations.
    Shi W; Maginn EJ
    J Chem Theory Comput; 2007 Jul; 3(4):1451-63. PubMed ID: 26633216
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 18.