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 *

194 related articles for article (PubMed ID: 22904601)

  • 1. Coarse-Grained Molecular Models of Water: A Review.
    Hadley KR; McCabe C
    Mol Simul; 2012 Jul; 38(8-9):671-681. PubMed ID: 22904601
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulations.
    Wassenaar TA; Ingólfsson HI; Priess M; Marrink SJ; Schäfer LV
    J Phys Chem B; 2013 Apr; 117(13):3516-30. PubMed ID: 23406326
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations.
    Riniker S; van Gunsteren WF
    J Chem Phys; 2011 Feb; 134(8):084110. PubMed ID: 21361530
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The CUMULUS coarse graining method: transferable potentials for water and solutes.
    van Hoof B; Markvoort AJ; van Santen RA; Hilbers PA
    J Phys Chem B; 2011 Aug; 115(33):10001-12. PubMed ID: 21740053
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization.
    Lu J; Qiu Y; Baron R; Molinero V
    J Chem Theory Comput; 2014 Sep; 10(9):4104-20. PubMed ID: 26588552
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.
    Villa A; Peter C; van der Vegt NF
    Phys Chem Chem Phys; 2009 Mar; 11(12):2077-86. PubMed ID: 19280018
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Toward a Coarse Graining/All Atoms Force Field (CG/AA) from a Multiscale Optimization Method: An Application to the MCM-41 Mesoporous Silicates.
    Ghoufi A; Morineau D; Lefort R; Malfreyt P
    J Chem Theory Comput; 2010 Oct; 6(10):3212-22. PubMed ID: 26616783
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.
    Renevey A; Riniker S
    J Chem Phys; 2017 Mar; 146(12):124131. PubMed ID: 28388132
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 136(19):194115. PubMed ID: 22612088
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation.
    Sanyal T; Shell MS
    J Chem Phys; 2016 Jul; 145(3):034109. PubMed ID: 27448876
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites.
    Rzepiela AJ; Louhivuori M; Peter C; Marrink SJ
    Phys Chem Chem Phys; 2011 Jun; 13(22):10437-48. PubMed ID: 21494747
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Coarse-Grained Modeling of Polyethylene Melts: Effect on Dynamics.
    Peters BL; Salerno KM; Agrawal A; Perahia D; Grest GS
    J Chem Theory Comput; 2017 Jun; 13(6):2890-2896. PubMed ID: 28535348
    [TBL] [Abstract][Full Text] [Related]  

  • 13. High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials.
    Lu J; Jacobson LC; Perez Sirkin YA; Molinero V
    J Chem Theory Comput; 2017 Jan; 13(1):245-264. PubMed ID: 28068769
    [TBL] [Abstract][Full Text] [Related]  

  • 14. PSO-Assisted Development of New Transferable Coarse-Grained Water Models.
    Bejagam KK; Singh S; An Y; Berry C; Deshmukh SA
    J Phys Chem B; 2018 Feb; 122(6):1958-1971. PubMed ID: 29355023
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Coarse-grained molecular dynamics simulations of poly(ethylene terephthalate).
    Golmohammadi N; Boland-Hemmat M; Barahmand S; Eslami H
    J Chem Phys; 2020 Mar; 152(11):114901. PubMed ID: 32199431
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Transferability of coarse-grained force fields: the polymer case.
    Carbone P; Varzaneh HA; Chen X; Müller-Plathe F
    J Chem Phys; 2008 Feb; 128(6):064904. PubMed ID: 18282071
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials.
    Wang YL; Lyubartsev A; Lu ZY; Laaksonen A
    Phys Chem Chem Phys; 2013 May; 15(20):7701-12. PubMed ID: 23595102
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Integral equation theory based direct and accelerated systematic coarse-graining approaches.
    Mashayak SY; Miao L; Aluru NR
    J Chem Phys; 2018 Jun; 148(21):214105. PubMed ID: 29884051
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. A new coarse-grained model for water: the importance of electrostatic interactions.
    Wu Z; Cui Q; Yethiraj A
    J Phys Chem B; 2010 Aug; 114(32):10524-9. PubMed ID: 20701383
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.