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 *

230 related articles for article (PubMed ID: 17388420)

  • 1. Polarizable empirical force field for aromatic compounds based on the classical drude oscillator.
    Lopes PE; Lamoureux G; Roux B; Mackerell AD
    J Phys Chem B; 2007 Mar; 111(11):2873-85. PubMed ID: 17388420
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator.
    Lopes PE; Lamoureux G; Mackerell AD
    J Comput Chem; 2009 Sep; 30(12):1821-38. PubMed ID: 19090564
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator.
    Lin FY; Lopes PEM; Harder E; Roux B; MacKerell AD
    J Chem Inf Model; 2018 May; 58(5):993-1004. PubMed ID: 29624370
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.
    Lin FY; MacKerell AD
    J Chem Theory Comput; 2018 Feb; 14(2):1083-1098. PubMed ID: 29357257
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Revised charge equilibration potential for liquid alkanes.
    Davis JE; Warren GL; Patel S
    J Phys Chem B; 2008 Jul; 112(28):8298-310. PubMed ID: 18570394
    [TBL] [Abstract][Full Text] [Related]  

  • 7. CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.
    Jana M; MacKerell AD
    J Phys Chem B; 2015 Jun; 119(25):7846-59. PubMed ID: 26018564
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator.
    He X; Lopes PE; Mackerell AD
    Biopolymers; 2013 Oct; 99(10):724-38. PubMed ID: 23703219
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers.
    Baker CM; Mackerell AD
    J Mol Model; 2010 Mar; 16(3):567-76. PubMed ID: 19705172
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model.
    Baker CM; Anisimov VM; MacKerell AD
    J Phys Chem B; 2011 Jan; 115(3):580-96. PubMed ID: 21166469
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.
    Patel DS; He X; MacKerell AD
    J Phys Chem B; 2015 Jan; 119(3):637-52. PubMed ID: 24564643
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field.
    Baker CM; Lopes PE; Zhu X; Roux B; Mackerell AD
    J Chem Theory Comput; 2010 Mar; 6(4):1181-1198. PubMed ID: 20401166
    [TBL] [Abstract][Full Text] [Related]  

  • 15. CH/pi interactions involving aromatic amino acids: refinement of the CHARMM tryptophan force field.
    Macias AT; Mackerell AD
    J Comput Chem; 2005 Nov; 26(14):1452-63. PubMed ID: 16088926
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force Field.
    Rupakheti CR; MacKerell AD; Roux B
    J Chem Theory Comput; 2021 Nov; 17(11):7085-7095. PubMed ID: 34609863
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A Drude polarizable model for liquid hydrogen sulfide.
    Riahi S; Rowley CN
    J Phys Chem B; 2013 May; 117(17):5222-9. PubMed ID: 23566029
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers.
    Vorobyov I; Anisimov VM; Greene S; Venable RM; Moser A; Pastor RW; MacKerell AD
    J Chem Theory Comput; 2007 May; 3(3):1120-33. PubMed ID: 26627431
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds.
    Chen IJ; Yin D; MacKerell AD
    J Comput Chem; 2002 Jan; 23(2):199-213. PubMed ID: 11924734
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Harnessing Deep Learning for Optimization of Lennard-Jones Parameters for the Polarizable Classical Drude Oscillator Force Field.
    Chatterjee P; Sengul MY; Kumar A; MacKerell AD
    J Chem Theory Comput; 2022 Apr; 18(4):2388-2407. PubMed ID: 35362975
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.