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 *

149 related articles for article (PubMed ID: 28992702)

  • 21. 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]  

  • 22. 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]  

  • 23. Mimicking coarse-grained simulations without coarse-graining: enhanced sampling by damping short-range interactions.
    Wei D; Wang F
    J Chem Phys; 2010 Aug; 133(8):084101. PubMed ID: 20815554
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Systematic evaluation of bundled SPC water for biomolecular simulations.
    Gopal SM; Kuhn AB; Schäfer LV
    Phys Chem Chem Phys; 2015 Apr; 17(13):8393-406. PubMed ID: 25588773
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Adaptive Resolution Simulation of Supramolecular Water: The Concurrent Making, Breaking, and Remaking of Water Bundles.
    Zavadlav J; Marrink SJ; Praprotnik M
    J Chem Theory Comput; 2016 Aug; 12(8):4138-45. PubMed ID: 27409519
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Towards open boundary molecular dynamics simulation of ionic liquids.
    Krekeler C; Delle Site L
    Phys Chem Chem Phys; 2017 Feb; 19(6):4701-4709. PubMed ID: 28128821
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems.
    Sokkar P; Boulanger E; Thiel W; Sanchez-Garcia E
    J Chem Theory Comput; 2015 Apr; 11(4):1809-18. PubMed ID: 26574388
    [TBL] [Abstract][Full Text] [Related]  

  • 28. 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]  

  • 29. 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]  

  • 30. 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]  

  • 31. A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.
    Fogarty AC; Potestio R; Kremer K
    Proteins; 2016 Dec; 84(12):1902-1913. PubMed ID: 27699855
    [TBL] [Abstract][Full Text] [Related]  

  • 32. 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]  

  • 33. Adaptive resolution simulation of polarizable supramolecular coarse-grained water models.
    Zavadlav J; Melo MN; Marrink SJ; Praprotnik M
    J Chem Phys; 2015 Jun; 142(24):244118. PubMed ID: 26133421
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.
    Genheden S
    J Comput Aided Mol Des; 2017 Oct; 31(10):867-876. PubMed ID: 28875361
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Hydration in discrete water. A mean field, cellular automata based approach to calculating hydration free energies.
    Setny P; Zacharias M
    J Phys Chem B; 2010 Jul; 114(26):8667-75. PubMed ID: 20552986
    [TBL] [Abstract][Full Text] [Related]  

  • 36. 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]  

  • 37. Charging free energy calculations using the Generalized Solvent Boundary Potential (GSBP) and periodic boundary condition: a comparative analysis using ion solvation and oxidation free energy in proteins.
    Lu X; Cui Q
    J Phys Chem B; 2013 Feb; 117(7):2005-18. PubMed ID: 23347181
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Multiscale investigation of chemical interference in proteins.
    Samiotakis A; Homouz D; Cheung MS
    J Chem Phys; 2010 May; 132(17):175101. PubMed ID: 20459186
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Computing Spatially Resolved Rotational Hydration Entropies from Atomistic Simulations.
    Heinz LP; Grubmüller H
    J Chem Theory Comput; 2020 Jan; 16(1):108-118. PubMed ID: 31822062
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Multiscale Simulation of Liquid Water Using a Four-to-One Mapping for Coarse-Graining.
    Nagarajan A; Junghans C; Matysiak S
    J Chem Theory Comput; 2013 Nov; 9(11):5168-75. PubMed ID: 26583426
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.