DOI: 10.1021/jp952835f. Comparison of Continuum and Explicit Models of Solvation: Potentials of Mean Force for Alanine Dipeptide

Comparison of Continuum and Explicit Models of Solvation: Potentials of Mean Force for Alanine Dipeptide

10.1021/jp952835f

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry (316)

Bibliography

Marrone, T. J., Gilson, M. K., & McCammon, J. A. (1996). Comparison of Continuum and Explicit Models of Solvation:â Potentials of Mean Force for Alanine Dipeptide. The Journal of Physical Chemistry, 100(5), 1439â1441.

Authors 3

Tami J. Marrone (first)
Michael K. Gilson (additional)
J. Andrew McCammon (additional)

References 14 Referenced 77

{'key': 'jp952835fb00001/jp952835fb00001_1', 'volume-title': 'Classical electrostatics in biology and chemistry. Science', 'author': 'For', 'year': '1995'} / Classical electrostatics in biology and chemistry. Science by For (1995)
10.1021/j100058a043 / J. Phys. Chem. by Sitkoff D. (1994)
10.1021/j100068a033 / J. Phys. Chem. by Simonson T. (1994)
10.1021/j100083a010 / J. Phys. Chem. by Jackson R. (1994)
10.1002/prot.340180205 / Evaluation of the conformational free energies of loops in proteins. Proteins: Struct. Func. Gen by Smith K. C. (1994)
10.1063/1.468409 / J. Chem. Phys. by Straatsma T. P. (1994)
10.1016/0010-4655(91)90094-2 / Comput. Phys. Commun. by Davis M. E. (1991)
10.1021/ja00214a002 / J. Am. Chem. Soc. by Jorgensen W. L. (1988)
10.1002/jcc.540160904 / J. Comput. Chem. by Gilson M. K. (1995)
{'key': 'jp952835fb00011/jp952835fb00011_1', 'first-page': '3637', 'volume': '91', 'author': 'Straatsma T. P.', 'year': '1991', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Straatsma T. P. (1991)
10.1002/jcc.540110806 / J. Comput. Chem. by Straatsma T. P. (1990)
10.1021/j100308a038 / J. Phys. Chem. by Berendsen H. J. C. (1987)
10.1063/1.448118 / J. Chem. Phys. by Berendsen H. J. C. (1984)
10.1016/0021-9991(77)90098-5 / J. Comput. Phys. by Ryckaert J. P. (1977)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 12:43 a.m.)
Deposited	3 years, 11 months ago (Sept. 20, 2021, 11:51 p.m.)
Indexed	3 weeks, 4 days ago (Aug. 2, 2025, 12:40 a.m.)
Issued	29 years, 7 months ago (Jan. 1, 1996)
Published	29 years, 7 months ago (Jan. 1, 1996)
Published Online	29 years, 6 months ago (Feb. 1, 1996)
Published Print	29 years, 7 months ago (Jan. 1, 1996)

Funders 0

None

BibTeX

@article{Marrone_1996, title={Comparison of Continuum and Explicit Models of Solvation: Potentials of Mean Force for Alanine Dipeptide}, volume={100}, ISSN={1541-5740}, url={http://dx.doi.org/10.1021/jp952835f}, DOI={10.1021/jp952835f}, number={5}, journal={The Journal of Physical Chemistry}, publisher={American Chemical Society (ACS)}, author={Marrone, Tami J. and Gilson, Michael K. and McCammon, J. Andrew}, year={1996}, month=jan, pages={1439–1441} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        2
      ]
    ],
    "date-time": "2025-08-02T04:40:40Z",
    "timestamp": 1754109640911
  },
  "reference-count": 14,
  "publisher": "American Chemical Society (ACS)",
  "issue": "5",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1996,
        1,
        1
      ]
    ]
  },
  "DOI": "10.1021/jp952835f",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T04:43:17Z",
    "timestamp": 1027658597000
  },
  "page": "1439-1441",
  "source": "Crossref",
  "is-referenced-by-count": 77,
  "title": "Comparison of Continuum and Explicit Models of Solvation:\u2009 Potentials of Mean Force for Alanine Dipeptide",
  "prefix": "10.1021",
  "volume": "100",
  "author": [
    {
      "given": "Tami J.",
      "family": "Marrone",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry and Biochemistry and Department of Pharmacology, University of California at San Diego, La Jolla, California 92093-0365"
        }
      ]
    },
    {
      "given": "Michael K.",
      "family": "Gilson",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Center for Advanced Research in Biotechnology, National Institute of Standards and Technology, 9600 Gudelsky Dr., Rockville, Maryland 20850-3479"
        }
      ]
    },
    {
      "given": "J. Andrew",
      "family": "McCammon",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry and Biochemistry and Department of Pharmacology, University of California at San Diego, La Jolla, California 92093-0365"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        1996,
        2,
        1
      ]
    ]
  },
  "reference": [
    {
      "key": "jp952835fb00001/jp952835fb00001_1",
      "volume-title": "Classical electrostatics in biology and chemistry. Science",
      "author": "For",
      "year": "1995"
    },
    {
      "key": "jp952835fb00002/jp952835fb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "1988",
      "DOI": "10.1021/j100058a043",
      "volume": "98",
      "author": "Sitkoff D.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp952835fb00003/jp952835fb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "4694",
      "DOI": "10.1021/j100068a033",
      "volume": "98",
      "author": "Simonson T.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp952835fb00004/jp952835fb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "1988",
      "DOI": "10.1021/j100083a010",
      "volume": "98",
      "author": "Jackson R.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp952835fb00005/jp952835fb00005_1",
      "doi-asserted-by": "crossref",
      "DOI": "10.1002/prot.340180205",
      "volume-title": "Evaluation of the conformational free energies of loops in proteins. Proteins:\u2009 Struct. Func. Gen",
      "author": "Smith K. C.",
      "year": "1994"
    },
    {
      "key": "jp952835fb00006/jp952835fb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "5039",
      "DOI": "10.1063/1.468409",
      "volume": "101",
      "author": "Straatsma T. P.",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp952835fb00008/jp952835fb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "197",
      "DOI": "10.1016/0010-4655(91)90094-2",
      "volume": "62",
      "author": "Davis M. E.",
      "year": "1991",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "key": "jp952835fb00009/jp952835fb00009_1",
      "doi-asserted-by": "crossref",
      "first-page": "1666",
      "DOI": "10.1021/ja00214a002",
      "volume": "110",
      "author": "Jorgensen W. L.",
      "year": "1988",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp952835fb00010/jp952835fb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "1095",
      "DOI": "10.1002/jcc.540160904",
      "volume": "16",
      "author": "Gilson M. K.",
      "year": "1995",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "jp952835fb00011/jp952835fb00011_1",
      "first-page": "3637",
      "volume": "91",
      "author": "Straatsma T. P.",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp952835fb00012/jp952835fb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "51",
      "DOI": "10.1002/jcc.540110806",
      "volume": "11",
      "author": "Straatsma T. P.",
      "year": "1990",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "jp952835fb00013/jp952835fb00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "6269",
      "DOI": "10.1021/j100308a038",
      "volume": "91",
      "author": "Berendsen H. J. C.",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp952835fb00014/jp952835fb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "3684",
      "DOI": "10.1063/1.448118",
      "volume": "81",
      "author": "Berendsen H. J. C.",
      "year": "1984",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp952835fb00015/jp952835fb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "327",
      "DOI": "10.1016/0021-9991(77)90098-5",
      "volume": "23",
      "author": "Ryckaert J. P.",
      "year": "1977",
      "journal-title": "J. Comput. Phys."
    }
  ],
  "container-title": "The Journal of Physical Chemistry",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp952835f",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        9,
        21
      ]
    ],
    "date-time": "2021-09-21T03:51:08Z",
    "timestamp": 1632196268000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp952835f"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1996,
        1,
        1
      ]
    ]
  },
  "references-count": 14,
  "journal-issue": {
    "issue": "5",
    "published-print": {
      "date-parts": [
        [
          1996,
          1,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp952835f"
  ],
  "URL": "http://dx.doi.org/10.1021/jp952835f",
  "relation": {},
  "ISSN": [
    "0022-3654",
    "1541-5740"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem.",
  "published": {
    "date-parts": [
      [
        1996,
        1,
        1
      ]
    ]
  }
}