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 *

131 related articles for article (PubMed ID: 27475345)

  • 1. The relative entropy is fundamental to adaptive resolution simulations.
    Kreis K; Potestio R
    J Chem Phys; 2016 Jul; 145(4):044104. PubMed ID: 27475345
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 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. Recent progress in adaptive multiscale molecular dynamics simulations of soft matter.
    Nielsen SO; Bulo RE; Moore PB; Ensing B
    Phys Chem Chem Phys; 2010 Oct; 12(39):12401-14. PubMed ID: 20734007
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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; 9(5):2466-80. PubMed ID: 26583735
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Coarse-graining simulation approaches for polymer melts: the effect of potential range on computational efficiency.
    Dinpajooh M; Guenza MG
    Soft Matter; 2018 Sep; 14(35):7126-7144. PubMed ID: 30070292
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study.
    Yang D; Wang Q
    Soft Matter; 2015 Sep; 11(36):7109-18. PubMed ID: 26252719
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA.
    Mashayak SY; Jochum MN; Koschke K; Aluru NR; Rühle V; Junghans C
    PLoS One; 2015; 10(7):e0131754. PubMed ID: 26192992
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Coarse-graining entropy, forces, and structures.
    Rudzinski JF; Noid WG
    J Chem Phys; 2011 Dec; 135(21):214101. PubMed ID: 22149773
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Hybrid MM/CG Webserver: Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes.
    Schneider J; Ribeiro R; Alfonso-Prieto M; Carloni P; Giorgetti A
    Front Mol Biosci; 2020; 7():576689. PubMed ID: 33102525
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion.
    Wang H; Schütte C; Delle Site L
    J Chem Theory Comput; 2012 Aug; 8(8):2878-87. PubMed ID: 26592127
    [TBL] [Abstract][Full Text] [Related]  

  • 16. The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials.
    Lu L; Voth GA
    J Chem Phys; 2011 Jun; 134(22):224107. PubMed ID: 21682507
    [TBL] [Abstract][Full Text] [Related]  

  • 17. On Using Atomistic Solvent Layers in Hybrid All-Atom/Coarse-Grained Molecular Dynamics Simulations.
    Kuhn AB; Gopal SM; Schäfer LV
    J Chem Theory Comput; 2015 Sep; 11(9):4460-72. PubMed ID: 26575936
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Force probe simulations using a hybrid scheme with virtual sites.
    Schäfer K; Oestereich M; Gauss J; Diezemann G
    J Chem Phys; 2017 Oct; 147(13):134909. PubMed ID: 28987102
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Solvent-scaling as an alternative to coarse-graining in adaptive-resolution simulations: The adaptive solvent-scaling (AdSoS) scheme.
    Kubincová A; Riniker S; Hünenberger PH
    J Chem Phys; 2021 Sep; 155(9):094107. PubMed ID: 34496576
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 7.