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PUBMED FOR HANDHELDS

Journal Abstract Search


268 related items for PubMed ID: 35621307

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  • 2. 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 05; 33(12):1207-14. PubMed ID: 22370965
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  • 5. 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 27; 60(7):3472-3488. PubMed ID: 32470296
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  • 7. New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves.
    Polat HM, Salehi HS, Hens R, Wasik DO, Rahbari A, de Meyer F, Houriez C, Coquelet C, Calero S, Dubbeldam D, Moultos OA, Vlugt TJH.
    J Chem Inf Model; 2021 Aug 23; 61(8):3752-3757. PubMed ID: 34383501
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  • 8. Simulating adsorptive expansion of zeolites: application to biomass-derived solutions in contact with silicalite.
    Santander JE, Tsapatsis M, Auerbach SM.
    Langmuir; 2013 Apr 16; 29(15):4866-76. PubMed ID: 23495719
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  • 11. A GPU OpenCL based cross-platform Monte Carlo dose calculation engine (goMC).
    Tian Z, Shi F, Folkerts M, Qin N, Jiang SB, Jia X.
    Phys Med Biol; 2015 Oct 07; 60(19):7419-35. PubMed ID: 26352012
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  • 16. Efficient hybrid non-equilibrium molecular dynamics--Monte Carlo simulations with symmetric momentum reversal.
    Chen Y, Roux B.
    J Chem Phys; 2014 Sep 21; 141(11):114107. PubMed ID: 25240345
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  • 17. RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids.
    Ran YA, Sharma S, Balestra SRG, Li Z, Calero S, Vlugt TJH, Snurr RQ, Dubbeldam D.
    J Chem Phys; 2024 Sep 21; 161(11):. PubMed ID: 39282847
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  • 19. 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 21; 72(1 Pt 2):016705. PubMed ID: 16090132
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  • 20. 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 12; 13(12):5933-5944. PubMed ID: 29111720
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