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 *

171 related articles for article (PubMed ID: 28816317)

  • 1. Evaluation of mapping schemes for systematic coarse graining of higher alkanes.
    Dallavalle M; van der Vegt NFA
    Phys Chem Chem Phys; 2017 Aug; 19(34):23034-23042. PubMed ID: 28816317
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Thermodynamic transferability of coarse-grained potentials for polymer-additive systems.
    Brini E; Herbers CR; Deichmann G; van der Vegt NF
    Phys Chem Chem Phys; 2012 Sep; 14(34):11896-903. PubMed ID: 22722404
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Chemically transferable coarse-grained potentials from conditional reversible work calculations.
    Brini E; van der Vegt NF
    J Chem Phys; 2012 Oct; 137(15):154113. PubMed ID: 23083154
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method.
    Deichmann G; Marcon V; van der Vegt NF
    J Chem Phys; 2014 Dec; 141(22):224109. PubMed ID: 25494734
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conditional reversible work method for molecular coarse graining applications.
    Brini E; Marcon V; van der Vegt NF
    Phys Chem Chem Phys; 2011 Jun; 13(22):10468-74. PubMed ID: 21541381
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Conditional Reversible Work Coarse-Grained Models of Molecular Liquids with Coulomb Electrostatics - A Proof of Concept Study on Weakly Polar Organic Molecules.
    Deichmann G; van der Vegt NFA
    J Chem Theory Comput; 2017 Dec; 13(12):6158-6166. PubMed ID: 29161026
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Van der Waals Perspective on Coarse-Graining: Progress toward Solving Representability and Transferability Problems.
    Dunn NJ; Foley TT; Noid WG
    Acc Chem Res; 2016 Dec; 49(12):2832-2840. PubMed ID: 27993007
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Coarse graining using pretabulated potentials: liquid benzene.
    Zacharopoulos N; Vergadou N; Theodorou DN
    J Chem Phys; 2005 Jun; 122(24):244111. PubMed ID: 16035750
    [TBL] [Abstract][Full Text] [Related]  

  • 9. STOCK: structure mapper and online coarse-graining kit for molecular simulations.
    Bevc S; Junghans C; Praprotnik M
    J Comput Chem; 2015 Mar; 36(7):467-77. PubMed ID: 25504076
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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; 143(24):243116. PubMed ID: 26723601
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accuracy, Transferability, and Efficiency of Coarse-Grained Models of Molecular Liquids.
    Guenza MG; Dinpajooh M; McCarty J; Lyubimov IY
    J Phys Chem B; 2018 Nov; 122(45):10257-10278. PubMed ID: 30153027
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Mesoscopic coarse-grained representations of fluids rigorously derived from atomistic models.
    Han Y; Dama JF; Voth GA
    J Chem Phys; 2018 Jul; 149(4):044104. PubMed ID: 30068206
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multiscale simulation of small peptides: consistent conformational sampling in atomistic and coarse-grained models.
    Bezkorovaynaya O; Lukyanov A; Kremer K; Peter C
    J Comput Chem; 2012 Apr; 33(9):937-49. PubMed ID: 22298285
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure-based coarse-graining for inhomogeneous liquid polymer systems.
    Fukuda M; Zhang H; Ishiguro T; Fukuzawa K; Itoh S
    J Chem Phys; 2013 Aug; 139(5):054901. PubMed ID: 23927278
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Generic Adaptive Resolution Method for Reverse Mapping of Polymers from Coarse-Grained to Atomistic Descriptions.
    Krajniak J; Pandiyan S; Nies E; Samaey G
    J Chem Theory Comput; 2016 Nov; 12(11):5549-5562. PubMed ID: 27685340
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Coarse-grained modeling of simple molecules at different resolutions in the absence of good sampling.
    Larini L; Shea JE
    J Phys Chem B; 2012 Jul; 116(29):8337-49. PubMed ID: 22292916
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Conditional Reversible Work Coarse-Grained Models with Explicit Electrostatics-An Application to Butylmethylimidazolium Ionic Liquids.
    Deichmann G; van der Vegt NFA
    J Chem Theory Comput; 2019 Feb; 15(2):1187-1198. PubMed ID: 30633515
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multiscale coarse graining of liquid-state systems.
    Izvekov S; Voth GA
    J Chem Phys; 2005 Oct; 123(13):134105. PubMed ID: 16223273
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method.
    Ardham VR; Deichmann G; van der Vegt NF; Leroy F
    J Chem Phys; 2015 Dec; 143(24):243135. PubMed ID: 26723620
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Systematic and simulation-free coarse graining of homopolymer melts: a structure-based study.
    Yang D; Wang Q
    J Chem Phys; 2015 Feb; 142(5):054905. PubMed ID: 25662666
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.