DOI: 10.1371/journal.pone.0015920. Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures

Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures

10.1371/journal.pone.0015920

Crossref journal-article

Public Library of Science (PLoS)

PLoS ONE (340)

Bibliography

Koparde, V. N., Scarsdale, J. N., & Kellogg, G. E. (2011). Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures. PLoS ONE, 6(1), e15920.

Authors 3

Vishal N. Koparde (first)
J. Neel Scarsdale (additional)
Glen E. Kellogg (additional)

References 36 Referenced 11

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10.1016/S0223-5234(00)00167-7 / Eur J Med Chem / Hydrophobicity. Is logPo/w more than the sum of its parts? by GE Kellogg (2000)
10.1021/jo01265a071 / J Org Chem / Linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids. by C Hansch (1968)
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10.1021/jm0200299 / J Med Chem / Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. by P Cozzini (2002)
10.1002/jcc.20954 / J Comput Chem / Energy-based prediction of amino acid-nucleotide base recognition. by A Marabotti (2008)
10.1016/j.bmc.2007.11.076 / Bioorg Med Chem / Docking and hydropathic scoring of polysubstituted pyrrole compounds with antitubulin activity. by A Tripathi (2008)
10.1107/S0907444998003254 / Acta Crystallogr D / Crystallography & NMR system: A new software suite for macromolecular structure determination. by AT Brünger (1998)
10.1107/S0108767391001071 / Acta Crystallogr A / Accurate bond and angle parameters for X-ray protein structure refinement. by RA Engh (1991)
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Dates

Type	When
Created	14 years, 7 months ago (Jan. 5, 2011, 5:12 p.m.)
Deposited	5 years, 3 months ago (May 8, 2020, 11:22 p.m.)
Indexed	2 years ago (Aug. 20, 2023, 2:50 p.m.)
Issued	14 years, 7 months ago (Jan. 5, 2011)
Published	14 years, 7 months ago (Jan. 5, 2011)
Published Online	14 years, 7 months ago (Jan. 5, 2011)

Funders 0

None

BibTeX

@article{Koparde_2011, title={Applying an Empirical Hydropathic Forcefield in Refinement May Improve Low-Resolution Protein X-Ray Crystal Structures}, volume={6}, ISSN={1932-6203}, url={http://dx.doi.org/10.1371/journal.pone.0015920}, DOI={10.1371/journal.pone.0015920}, number={1}, journal={PLoS ONE}, publisher={Public Library of Science (PLoS)}, author={Koparde, Vishal N. and Scarsdale, J. Neel and Kellogg, Glen E.}, editor={Morris, Richard James}, year={2011}, month=jan, pages={e15920} }

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    }
  },
  "URL": "http://dx.doi.org/10.1371/journal.pone.0015920",
  "relation": {},
  "ISSN": [
    "1932-6203"
  ],
  "subject": [],
  "container-title-short": "PLoS ONE",
  "published": {
    "date-parts": [
      [
        2011,
        1,
        5
      ]
    ]
  }
}