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Journal Abstract Search

259 related items for PubMed ID: 31005091

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  • 2. The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained sites.
    Cao Z, Voth GA.
    J Chem Phys; 2015 Dec 28; 143(24):243116. PubMed ID: 26723601
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  • 7. The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems.
    Das A, Lu L, Andersen HC, Voth GA.
    J Chem Phys; 2012 May 21; 136(19):194115. PubMed ID: 22612088
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  • 9. The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.
    Noid WG, Chu JW, Ayton GS, Krishna V, Izvekov S, Voth GA, Das A, Andersen HC.
    J Chem Phys; 2008 Jun 28; 128(24):244114. PubMed ID: 18601324
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  • 10. The Theory of Ultra-Coarse-Graining. 1. General Principles.
    Dama JF, Sinitskiy AV, McCullagh M, Weare J, Roux B, Dinner AR, Voth GA.
    J Chem Theory Comput; 2013 May 14; 9(5):2466-80. PubMed ID: 26583735
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  • 13. Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids.
    Dunn NJ, Noid WG.
    J Chem Phys; 2015 Dec 28; 143(24):243148. PubMed ID: 26723633
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  • 14. Multiscale Coarse-Graining with Effective Polarizabilities: A Fully Bottom-Up Approach.
    Lafond PG, Izvekov S.
    J Chem Theory Comput; 2018 Apr 10; 14(4):1873-1886. PubMed ID: 29485867
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  • 16. Integral equation theory based direct and accelerated systematic coarse-graining approaches.
    Mashayak SY, Miao L, Aluru NR.
    J Chem Phys; 2018 Jun 07; 148(21):214105. PubMed ID: 29884051
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  • 19. Role of short-range directional interactions in coarse-graining of protic/aprotic liquids.
    Kowalczyk P, Gauden PA, Ciach A.
    J Phys Chem B; 2009 Oct 01; 113(39):12988-98. PubMed ID: 19737002
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