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 *

188 related articles for article (PubMed ID: 16907017)

  • 1. Adaptive resolution scheme for efficient hybrid atomistic-mesoscale molecular dynamics simulations of dense liquids.
    Praprotnik M; Delle Site L; Kremer K
    Phys Rev E Stat Nonlin Soft Matter Phys; 2006 Jun; 73(6 Pt 2):066701. PubMed ID: 16907017
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Adaptive resolution simulations coupling atomistic water to dissipative particle dynamics.
    Zavadlav J; Praprotnik M
    J Chem Phys; 2017 Sep; 147(11):114110. PubMed ID: 28938807
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Concurrent triple-scale simulation of molecular liquids.
    Delgado-Buscalioni R; Kremer K; Praprotnik M
    J Chem Phys; 2008 Mar; 128(11):114110. PubMed ID: 18361557
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly.
    Praprotnik M; Delle Site L; Kremer K
    J Chem Phys; 2005 Dec; 123(22):224106. PubMed ID: 16375469
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme.
    Tarenzi T; Calandrini V; Potestio R; Giorgetti A; Carloni P
    J Chem Theory Comput; 2017 Nov; 13(11):5647-5657. PubMed ID: 28992702
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Modeling diffusive dynamics in adaptive resolution simulation of liquid water.
    Matysiak S; Clementi C; Praprotnik M; Kremer K; Delle Site L
    J Chem Phys; 2008 Jan; 128(2):024503. PubMed ID: 18205455
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.
    Fogarty AC; Potestio R; Kremer K
    J Chem Phys; 2015 May; 142(19):195101. PubMed ID: 26001481
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics.
    Ensing B; Nielsen SO; Moore PB; Klein ML; Parrinello M
    J Chem Theory Comput; 2007 May; 3(3):1100-5. PubMed ID: 26627429
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues.
    Fiorentini R; Kremer K; Potestio R; Fogarty AC
    J Chem Phys; 2017 Jun; 146(24):244113. PubMed ID: 28668024
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Hybrid particle-field molecular dynamics simulations: parallelization and benchmarks.
    Zhao Y; De Nicola A; Kawakatsu T; Milano G
    J Comput Chem; 2012 Mar; 33(8):868-80. PubMed ID: 22278759
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Chemical potential of liquids and mixtures via adaptive resolution simulation.
    Agarwal A; Wang H; Schütte C; Delle Site L
    J Chem Phys; 2014 Jul; 141(3):034102. PubMed ID: 25053296
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Combining molecular dynamics with mesoscopic Green's function reaction dynamics simulations.
    Vijaykumar A; Bolhuis PG; ten Wolde PR
    J Chem Phys; 2015 Dec; 143(21):214102. PubMed ID: 26646864
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Mesoscale modeling of complex binary fluid mixtures: towards an atomistic foundation of effective potentials.
    Silbermann JR; Klapp SH; Schoen M; Chennamsetty N; Bock H; Gubbins KE
    J Chem Phys; 2006 Feb; 124(7):74105. PubMed ID: 16497028
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Hybrid Atomistic and Coarse-Grained Molecular Dynamics Simulations of Polyethylene Glycol (PEG) in Explicit Water.
    Stanzione F; Jayaraman A
    J Phys Chem B; 2016 May; 120(17):4160-73. PubMed ID: 27108869
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Control of density fluctuations in atomistic-continuum simulations of dense liquids.
    Kotsalis EM; Walther JH; Koumoutsakos P
    Phys Rev E Stat Nonlin Soft Matter Phys; 2007 Jul; 76(1 Pt 2):016709. PubMed ID: 17677596
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. Hybrid particle-field molecular dynamics simulations for dense polymer systems.
    Milano G; Kawakatsu T
    J Chem Phys; 2009 Jun; 130(21):214106. PubMed ID: 19508055
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Simulation of macromolecular liquids with the adaptive resolution molecular dynamics technique.
    Peters JH; Klein R; Delle Site L
    Phys Rev E; 2016 Aug; 94(2-1):023309. PubMed ID: 27627414
    [TBL] [Abstract][Full Text] [Related]  

  • 20. From mesoscale back to atomistic models: a fast reverse-mapping procedure for vinyl polymer chains.
    Santangelo G; Matteo AD; Müller-Plathe F; Milano G
    J Phys Chem B; 2007 Mar; 111(11):2765-73. PubMed ID: 17319712
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.