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 *

200 related articles for article (PubMed ID: 26001481)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 4. 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]  

  • 5. Adaptive resolution simulation of an atomistic protein in MARTINI water.
    Zavadlav J; Melo MN; Marrink SJ; Praprotnik M
    J Chem Phys; 2014 Feb; 140(5):054114. PubMed ID: 24511929
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Adaptive resolution simulations of biomolecular systems.
    Zavadlav J; Bevc S; Praprotnik M
    Eur Biophys J; 2017 Dec; 46(8):821-835. PubMed ID: 28905203
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Investigation of water-mediated intermolecular interactions with the adaptive resolution simulation technique.
    Delle Site L
    J Phys Condens Matter; 2021 Dec; 34(11):. PubMed ID: 34560676
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution Scheme.
    Korshunova K; Carloni P
    J Phys Chem B; 2021 Jan; 125(3):789-797. PubMed ID: 33443434
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. Force probe simulations using an adaptive resolution scheme.
    Oestereich M; Gauss J; Diezemann G
    J Phys Condens Matter; 2021 Apr; 33(19):. PubMed ID: 33690183
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. Adaptive resolution simulation of a DNA molecule in salt solution.
    Zavadlav J; Podgornik R; Praprotnik M
    J Chem Theory Comput; 2015 Oct; 11(10):5035-44. PubMed ID: 26574288
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Back-mapping augmented adaptive resolution simulation.
    Thaler S; Praprotnik M; Zavadlav J
    J Chem Phys; 2020 Oct; 153(16):164118. PubMed ID: 33138420
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Multiscale Simulation of Protein Hydration Using the SWINGER Dynamical Clustering Algorithm.
    Zavadlav J; Marrink SJ; Praprotnik M
    J Chem Theory Comput; 2018 Mar; 14(3):1754-1761. PubMed ID: 29439560
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. 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]  

  • 20. Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
    Praprotnik M; Site LD; Kremer K
    Annu Rev Phys Chem; 2008; 59():545-71. PubMed ID: 18062769
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.