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 *

287 related articles for article (PubMed ID: 26018564)

  • 21. Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields.
    Lin FY; MacKerell AD
    J Chem Inf Model; 2019 Jan; 59(1):215-228. PubMed ID: 30418023
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.
    Yu Y; Venable RM; Thirman J; Chatterjee P; Kumar A; Pastor RW; Roux B; MacKerell AD; Klauda JB
    J Chem Theory Comput; 2023 May; 19(9):2590-2605. PubMed ID: 37071552
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.
    Small MC; Aytenfisu AH; Lin FY; He X; MacKerell AD
    J Comput Aided Mol Des; 2017 Apr; 31(4):349-363. PubMed ID: 28190218
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator.
    Anisimov VM; Lamoureux G; Vorobyov IV; Huang N; Roux B; MacKerell AD
    J Chem Theory Comput; 2005 Jan; 1(1):153-68. PubMed ID: 26641126
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator model.
    Zhu X; MacKerell AD
    J Comput Chem; 2010 Sep; 31(12):2330-41. PubMed ID: 20575015
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model.
    Anisimov VM; Vorobyov IV; Roux B; Mackerell AD
    J Chem Theory Comput; 2007; 3(6):1927-1946. PubMed ID: 18802495
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes.
    König G; Pickard FC; Huang J; Thiel W; MacKerell AD; Brooks BR; York DM
    Molecules; 2018 Oct; 23(10):. PubMed ID: 30347691
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.
    Davis JE; Rahaman O; Patel S
    Biophys J; 2009 Jan; 96(2):385-402. PubMed ID: 19167291
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Balancing the Interactions of Mg
    Lemkul JA; MacKerell AD
    J Phys Chem B; 2016 Nov; 120(44):11436-11448. PubMed ID: 27759379
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Polarizable empirical force field for alkanes based on the classical Drude oscillator model.
    Vorobyov IV; Anisimov VM; MacKerell AD
    J Phys Chem B; 2005 Oct; 109(40):18988-99. PubMed ID: 16853445
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Additive empirical force field for hexopyranose monosaccharides.
    Guvench O; Greene SN; Kamath G; Brady JW; Venable RM; Pastor RW; Mackerell AD
    J Comput Chem; 2008 Nov; 29(15):2543-64. PubMed ID: 18470966
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA; Brooks CL
    J Chem Phys; 2006 May; 124(20):204706. PubMed ID: 16774363
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Extension of the CHARMM Classical Drude Polarizable Force Field to N- and O-Linked Glycopeptides and Glycoproteins.
    Kognole AA; Aytenfisu AH; MacKerell AD
    J Phys Chem B; 2022 Sep; 126(35):6642-6653. PubMed ID: 36005290
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxides.
    Kognole AA; Aytenfisu AH; MacKerell AD
    J Mol Model; 2020 May; 26(6):152. PubMed ID: 32447472
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations.
    Yu W; He X; Vanommeslaeghe K; MacKerell AD
    J Comput Chem; 2012 Dec; 33(31):2451-68. PubMed ID: 22821581
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins.
    Lin FY; MacKerell AD
    J Comput Chem; 2020 Feb; 41(5):439-448. PubMed ID: 31518010
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.
    Chowdhary J; Harder E; Lopes PE; Huang L; MacKerell AD; Roux B
    J Phys Chem B; 2013 Aug; 117(31):9142-60. PubMed ID: 23841725
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Mapping the Drude polarizable force field onto a multipole and induced dipole model.
    Huang J; Simmonett AC; Pickard FC; MacKerell AD; Brooks BR
    J Chem Phys; 2017 Oct; 147(16):161702. PubMed ID: 29096511
    [TBL] [Abstract][Full Text] [Related]  

  • 39. CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses.
    Guvench O; Hatcher ER; Venable RM; Pastor RW; Mackerell AD
    J Chem Theory Comput; 2009 Aug; 5(9):2353-2370. PubMed ID: 20161005
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Polarizable water models from mixed computational and empirical optimization.
    Tröster P; Lorenzen K; Schwörer M; Tavan P
    J Phys Chem B; 2013 Aug; 117(32):9486-500. PubMed ID: 23844727
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 15.