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Pubmed for Handhelds

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Journal Abstract Search

261 related items for PubMed ID: 19399779

  • 41. Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.
    Corrigan RA, Qi G, Thiel AC, Lynn JR, Walker BD, Casavant TL, Lagardere L, Piquemal JP, Ponder JW, Ren P, Schnieders MJ.
    J Chem Theory Comput; 2021 Apr 13; 17(4):2323-2341. PubMed ID: 33769814
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  • 42. Assessment of solvation effects on calculated binding affinity differences: trypsin inhibition by flavonoids as a model system for congeneric series.
    Checa A, Ortiz AR, de Pascual-Teresa B, Gago F.
    J Med Chem; 1997 Dec 05; 40(25):4136-45. PubMed ID: 9406602
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  • 44. Influence of the solvent representation on vibrational entropy calculations: generalized born versus distance-dependent dielectric model.
    Kopitz H, Cashman DA, Pfeiffer-Marek S, Gohlke H.
    J Comput Chem; 2012 Apr 05; 33(9):1004-13. PubMed ID: 22298332
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  • 49. Could MM-GBSA be accurate enough for calculation of absolute protein/ligand binding free energies?
    Mulakala C, Viswanadhan VN.
    J Mol Graph Model; 2013 Nov 05; 46():41-51. PubMed ID: 24121518
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  • 51. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
    Vorobjev YN, Almagro JC, Hermans J.
    Proteins; 1998 Sep 01; 32(4):399-413. PubMed ID: 9726412
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  • 57. The application of three approximate free energy calculations methods to structure based ligand design: trypsin and its complex with inhibitors.
    Radmer RJ, Kollman PA.
    J Comput Aided Mol Des; 1998 May 01; 12(3):215-27. PubMed ID: 9749366
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  • 59. The effects of implicit modeling of nonpolar solvation on protein folding simulations.
    Shao Q, Zhu W.
    Phys Chem Chem Phys; 2018 Jul 11; 20(27):18410-18419. PubMed ID: 29946610
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