DOI: 10.1016/s0301-0104(99)00164-0. Steered molecular dynamics simulation of conformational changes of immunoglobulin domain I27 interprete atomic force microscopy observations

Steered molecular dynamics simulation of conformational changes of immunoglobulin domain I27 interprete atomic force microscopy observations

10.1016/s0301-0104(99)00164-0

Crossref journal-article

Elsevier BV

Chemical Physics (78)

Bibliography

Lu, H., & Schulten, K. (1999). Steered molecular dynamics simulation of conformational changes of immunoglobulin domain I27 interprete atomic force microscopy observations. Chemical Physics, 247(1), 141â153.

Authors 2

Hui Lu (first)
Klaus Schulten (additional)

References 36 Referenced 134

10.1016/S0006-3495(98)77741-0 / Biophys. J by Rief (1998)
10.1126/science.276.5315.1109 / Science by Rief (1997)
10.1038/30270 / Nature by Oberhauser (1998)
10.1126/science.276.5315.1112 / Science by Kellermayer (1997)
10.1038/387308a0 / Nature by Tskhovrebova (1997)
10.1016/S0006-3495(93)81482-6 / Biophys. J by Wang (1993)
10.1096/fasebj.11.5.9141500 / FASEB J by Maruyama (1997)
10.1083/jcb.141.2.321 / J. Cell Biol by Machado (1998)
10.1126/science.270.5234.293 / Science by Labeit (1995)
10.1016/0955-0674(93)90037-Q / Curr. Opinion Cell Biol by Erickson (1993)
10.1006/jmbi.1998.2466 / J. Mol. Biol by Rief (1999)
M. Carrion-Vazquez, A. Oberhauser, S. Fowler, P. Marszalek, S. Broedel, J. Clarke, J. Fernandez, Mechanical and chemical unfolding of a single protein: A comparison, Proc. Natl. Acad. Sci. USA, 1999, p. 3694. (10.1073/pnas.96.7.3694)
10.1016/S0969-2126(96)00036-6 / Structure by Improta (1996)
10.1073/pnas.96.5.2031 / Proc. Natl. Acad. Sci. USA by Socci (1999)
S. Izrailev, S. Stepaniants, B. Isralewitz, D. Kosztin, Hui Lu, F. Molnar, W. Wriggers, K. Schulten, Steered molecular dynamics, in: P. Deuflhard, J. Hermans, B. Leimkuhler, A.E. Mark, S. Reich, R.D. Skeel (Eds.), Computational Molecular Dynamics: Challenges, Methods, Ideas, vol. 4 of Lecture Notes in Computational Science and Engineering, Springer, Berlin, 1998, p. 36.
10.1126/science.271.5251.997 / Science by Grubmüller (1996)
10.1016/S0006-3495(97)78804-0 / Biophys. J by Izrailev (1997)
10.1016/S0006-3495(97)78326-7 / Biophys. J by Isralewitz (1997)
10.1016/S0006-3495(99)77188-2 / Biophys. J by Kosztin (1999)
Hui Lu, B. Isralewitz, A. Krammer, V. Vogel, K. Schulten, Biophys. J. 75 (1998) 662. (10.1016/S0006-3495(98)77556-3)
A. Krammer, Hui Lu, B. Isralewitz, K. Schulten, V. Vogel, Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch, Proc. Natl. Acad. Sci. USA, vol. 91, 1999, p. 1351. (10.1073/pnas.96.4.1351)
Hui Lu, K. Schulten, Steered molecular dynamics simulations of force-induced protein domain unfolding, PROTEINS: Struc., Func., and Genetics, 1999, in press. (10.1002/(SICI)1097-0134(19990601)35:4<453::AID-PROT9>3.0.CO;2-M)
J. Fernandez et al., 1999, submitted.
10.1016/0378-4371(80)90170-3 / Physica by Schulten (1980)
10.1063/1.439715 / J. Chem. Phys by Szabo (1980)
10.1063/1.441684 / J. Chem. Phys by Schulten (1981)
10.1016/S0006-3495(95)80131-1 / Biophys. J by Politou (1995)
10.1021/jp973084f / J. Phys. Chem. B by MacKerell (1998)
10.1063/1.445869 / J. Chem. Phys by Jorgensen (1983)
10.1177/109434209601000401 / J. Supercomputing App by Nelson (1996)
A.T. Brünger, X-PLOR, Version 3.1: A System for X-ray Crystallography and NMR, The Howard Hughes Medical Institute and Department of Molecular Biophysics and Biochemistry, Yale University, 1992.
10.1063/1.445002 / J. Chem. Phys by Lamm (1983)
10.1103/PhysRevLett.81.4764 / Phys. Rev. Lett by Rief (1998)
J. Gullingsrud, R. Braun, K. Schulten, Reconstructing potentials of mean force through time series analysis of steered molecular dynamics simulations, J. Comp. Phys., Special Issue on Computational Biophysics, 1998, in press. (10.1006/jcph.1999.6218)
10.1016/S0006-3495(98)77666-0 / Biophys. J by Willemsen (1998)
10.1016/0263-7855(96)00018-5 / J. Mol. Graphics by Humphrey (1996)

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 9:19 p.m.)
Deposited	5 years, 6 months ago (Feb. 4, 2020, 4:41 p.m.)
Indexed	1 month, 2 weeks ago (July 8, 2025, 7:29 a.m.)
Issued	26 years ago (Aug. 1, 1999)
Published	26 years ago (Aug. 1, 1999)
Published Print	26 years ago (Aug. 1, 1999)

Funders 0

None

BibTeX

@article{Lu_1999, title={Steered molecular dynamics simulation of conformational changes of immunoglobulin domain I27 interprete atomic force microscopy observations}, volume={247}, ISSN={0301-0104}, url={http://dx.doi.org/10.1016/s0301-0104(99)00164-0}, DOI={10.1016/s0301-0104(99)00164-0}, number={1}, journal={Chemical Physics}, publisher={Elsevier BV}, author={Lu, Hui and Schulten, Klaus}, year={1999}, month=aug, pages={141–153} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        8
      ]
    ],
    "date-time": "2025-07-08T11:29:42Z",
    "timestamp": 1751974182795
  },
  "reference-count": 36,
  "publisher": "Elsevier BV",
  "issue": "1",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1999,
            8,
            1
          ]
        ],
        "date-time": "1999-08-01T00:00:00Z",
        "timestamp": 933465600000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.elsevier.com/tdm/userlicense/1.0/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1999,
        8
      ]
    ]
  },
  "DOI": "10.1016/s0301-0104(99)00164-0",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T01:19:20Z",
    "timestamp": 1027646360000
  },
  "page": "141-153",
  "source": "Crossref",
  "is-referenced-by-count": 134,
  "title": "Steered molecular dynamics simulation of conformational changes of immunoglobulin domain I27 interprete atomic force microscopy observations",
  "prefix": "10.1016",
  "volume": "247",
  "author": [
    {
      "given": "Hui",
      "family": "Lu",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "Klaus",
      "family": "Schulten",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB1",
      "doi-asserted-by": "crossref",
      "first-page": "3008",
      "DOI": "10.1016/S0006-3495(98)77741-0",
      "volume": "75",
      "author": "Rief",
      "year": "1998",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB2",
      "doi-asserted-by": "crossref",
      "first-page": "1109",
      "DOI": "10.1126/science.276.5315.1109",
      "volume": "276",
      "author": "Rief",
      "year": "1997",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB3",
      "doi-asserted-by": "crossref",
      "first-page": "181",
      "DOI": "10.1038/30270",
      "volume": "393",
      "author": "Oberhauser",
      "year": "1998",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB4",
      "doi-asserted-by": "crossref",
      "first-page": "1112",
      "DOI": "10.1126/science.276.5315.1112",
      "volume": "276",
      "author": "Kellermayer",
      "year": "1997",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB5",
      "doi-asserted-by": "crossref",
      "first-page": "308",
      "DOI": "10.1038/387308a0",
      "volume": "387",
      "author": "Tskhovrebova",
      "year": "1997",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "1161",
      "DOI": "10.1016/S0006-3495(93)81482-6",
      "volume": "64",
      "author": "Wang",
      "year": "1993",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB7",
      "doi-asserted-by": "crossref",
      "first-page": "341",
      "DOI": "10.1096/fasebj.11.5.9141500",
      "volume": "11",
      "author": "Maruyama",
      "year": "1997",
      "journal-title": "FASEB J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB8",
      "doi-asserted-by": "crossref",
      "first-page": "321",
      "DOI": "10.1083/jcb.141.2.321",
      "volume": "141",
      "author": "Machado",
      "year": "1998",
      "journal-title": "J. Cell Biol"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB9",
      "doi-asserted-by": "crossref",
      "first-page": "293",
      "DOI": "10.1126/science.270.5234.293",
      "volume": "270",
      "author": "Labeit",
      "year": "1995",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB10",
      "doi-asserted-by": "crossref",
      "first-page": "869",
      "DOI": "10.1016/0955-0674(93)90037-Q",
      "volume": "5",
      "author": "Erickson",
      "year": "1993",
      "journal-title": "Curr. Opinion Cell Biol"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "553",
      "DOI": "10.1006/jmbi.1998.2466",
      "volume": "286",
      "author": "Rief",
      "year": "1999",
      "journal-title": "J. Mol. Biol"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB12",
      "doi-asserted-by": "crossref",
      "unstructured": "M. Carrion-Vazquez, A. Oberhauser, S. Fowler, P. Marszalek, S. Broedel, J. Clarke, J. Fernandez, Mechanical and chemical unfolding of a single protein: A comparison, Proc. Natl. Acad. Sci. USA, 1999, p. 3694.",
      "DOI": "10.1073/pnas.96.7.3694"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB13",
      "doi-asserted-by": "crossref",
      "first-page": "323",
      "DOI": "10.1016/S0969-2126(96)00036-6",
      "volume": "4",
      "author": "Improta",
      "year": "1996",
      "journal-title": "Structure"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB14",
      "doi-asserted-by": "crossref",
      "first-page": "2031",
      "DOI": "10.1073/pnas.96.5.2031",
      "volume": "96",
      "author": "Socci",
      "year": "1999",
      "journal-title": "Proc. Natl. Acad. Sci. USA"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB15",
      "unstructured": "S. Izrailev, S. Stepaniants, B. Isralewitz, D. Kosztin, Hui Lu, F. Molnar, W. Wriggers, K. Schulten, Steered molecular dynamics, in: P. Deuflhard, J. Hermans, B. Leimkuhler, A.E. Mark, S. Reich, R.D. Skeel (Eds.), Computational Molecular Dynamics: Challenges, Methods, Ideas, vol. 4 of Lecture Notes in Computational Science and Engineering, Springer, Berlin, 1998, p. 36."
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB16",
      "doi-asserted-by": "crossref",
      "first-page": "997",
      "DOI": "10.1126/science.271.5251.997",
      "volume": "271",
      "author": "Grubm\u00fcller",
      "year": "1996",
      "journal-title": "Science"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "1568",
      "DOI": "10.1016/S0006-3495(97)78804-0",
      "volume": "72",
      "author": "Izrailev",
      "year": "1997",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB18",
      "doi-asserted-by": "crossref",
      "first-page": "2972",
      "DOI": "10.1016/S0006-3495(97)78326-7",
      "volume": "73",
      "author": "Isralewitz",
      "year": "1997",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB19",
      "doi-asserted-by": "crossref",
      "first-page": "188",
      "DOI": "10.1016/S0006-3495(99)77188-2",
      "volume": "76",
      "author": "Kosztin",
      "year": "1999",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB20",
      "doi-asserted-by": "crossref",
      "unstructured": "Hui Lu, B. Isralewitz, A. Krammer, V. Vogel, K. Schulten, Biophys. J. 75 (1998) 662.",
      "DOI": "10.1016/S0006-3495(98)77556-3"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB21",
      "doi-asserted-by": "crossref",
      "unstructured": "A. Krammer, Hui Lu, B. Isralewitz, K. Schulten, V. Vogel, Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch, Proc. Natl. Acad. Sci. USA, vol. 91, 1999, p. 1351.",
      "DOI": "10.1073/pnas.96.4.1351"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB22",
      "doi-asserted-by": "crossref",
      "unstructured": "Hui Lu, K. Schulten, Steered molecular dynamics simulations of force-induced protein domain unfolding, PROTEINS: Struc., Func., and Genetics, 1999, in press.",
      "DOI": "10.1002/(SICI)1097-0134(19990601)35:4<453::AID-PROT9>3.0.CO;2-M"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB23",
      "unstructured": "J. Fernandez et al., 1999, submitted."
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB24",
      "doi-asserted-by": "crossref",
      "first-page": "599",
      "DOI": "10.1016/0378-4371(80)90170-3",
      "volume": "100A",
      "author": "Schulten",
      "year": "1980",
      "journal-title": "Physica"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB25",
      "doi-asserted-by": "crossref",
      "first-page": "4350",
      "DOI": "10.1063/1.439715",
      "volume": "72",
      "author": "Szabo",
      "year": "1980",
      "journal-title": "J. Chem. Phys"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "4426",
      "DOI": "10.1063/1.441684",
      "volume": "74",
      "author": "Schulten",
      "year": "1981",
      "journal-title": "J. Chem. Phys"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB27",
      "doi-asserted-by": "crossref",
      "first-page": "2601",
      "DOI": "10.1016/S0006-3495(95)80131-1",
      "volume": "69",
      "author": "Politou",
      "year": "1995",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB28",
      "doi-asserted-by": "crossref",
      "first-page": "3586",
      "DOI": "10.1021/jp973084f",
      "volume": "102",
      "author": "MacKerell",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB29",
      "doi-asserted-by": "crossref",
      "first-page": "926",
      "DOI": "10.1063/1.445869",
      "volume": "79",
      "author": "Jorgensen",
      "year": "1983",
      "journal-title": "J. Chem. Phys"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB30",
      "doi-asserted-by": "crossref",
      "first-page": "251",
      "DOI": "10.1177/109434209601000401",
      "volume": "10",
      "author": "Nelson",
      "year": "1996",
      "journal-title": "J. Supercomputing App"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB31",
      "unstructured": "A.T. Br\u00fcnger, X-PLOR, Version 3.1: A System for X-ray Crystallography and NMR, The Howard Hughes Medical Institute and Department of Molecular Biophysics and Biochemistry, Yale University, 1992."
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB32",
      "doi-asserted-by": "crossref",
      "first-page": "2713",
      "DOI": "10.1063/1.445002",
      "volume": "78",
      "author": "Lamm",
      "year": "1983",
      "journal-title": "J. Chem. Phys"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB33",
      "doi-asserted-by": "crossref",
      "first-page": "4764",
      "DOI": "10.1103/PhysRevLett.81.4764",
      "volume": "81",
      "author": "Rief",
      "year": "1998",
      "journal-title": "Phys. Rev. Lett"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB34",
      "doi-asserted-by": "crossref",
      "unstructured": "J. Gullingsrud, R. Braun, K. Schulten, Reconstructing potentials of mean force through time series analysis of steered molecular dynamics simulations, J. Comp. Phys., Special Issue on Computational Biophysics, 1998, in press.",
      "DOI": "10.1006/jcph.1999.6218"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB35",
      "doi-asserted-by": "crossref",
      "first-page": "2220",
      "DOI": "10.1016/S0006-3495(98)77666-0",
      "volume": "75",
      "author": "Willemsen",
      "year": "1998",
      "journal-title": "Biophys. J"
    },
    {
      "key": "10.1016/S0301-0104(99)00164-0_BIB36",
      "doi-asserted-by": "crossref",
      "first-page": "33",
      "DOI": "10.1016/0263-7855(96)00018-5",
      "volume": "14",
      "author": "Humphrey",
      "year": "1996",
      "journal-title": "J. Mol. Graphics"
    }
  ],
  "container-title": "Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0301010499001640?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0301010499001640?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2020,
        2,
        4
      ]
    ],
    "date-time": "2020-02-04T21:41:39Z",
    "timestamp": 1580852499000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S0301010499001640"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1999,
        8
      ]
    ]
  },
  "references-count": 36,
  "journal-issue": {
    "issue": "1",
    "published-print": {
      "date-parts": [
        [
          1999,
          8
        ]
      ]
    }
  },
  "alternative-id": [
    "S0301010499001640"
  ],
  "URL": "http://dx.doi.org/10.1016/S0301-0104(99)00164-0",
  "relation": {},
  "ISSN": [
    "0301-0104"
  ],
  "subject": [],
  "container-title-short": "Chemical Physics",
  "published": {
    "date-parts": [
      [
        1999,
        8
      ]
    ]
  }
}