DOI: 10.1007/bf00124387. The computer program LUDI: A new method for the de novo design of enzyme inhibitors

The computer program LUDI: A new method for the de novo design of enzyme inhibitors

10.1007/bf00124387

Crossref journal-article

Springer Science and Business Media LLC

Journal of Computer-Aided Molecular Design (297)

Bibliography

Bï¿½hm, H.-J. (1992). The computer program LUDI: A new method for the de novo design of enzyme inhibitors. Journal of Computer-Aided Molecular Design, 6(1), 61â78.

Authors 1

Hans-Joachim B�hm (first)

References 39 Referenced 694

Bernstein, F.C., Koetzle, T.F., Williams, G.J.B., MeyerJr., E.F., Brice, M.D., Rodgers, J.R., Kennard, O., Shimanouchi, T. and Tasumi, T., J. Mol. Biol., 112 (1977) 535. (10.1016/S0022-2836(77)80200-3) / J. Mol. Biol. by F.C. Bernstein (1977)
Cohen, N.C., Blaney, J.M., Humblet, C., Gund, P. and Barry, D.C., J. Med. Chem., 33 (1990) 883. (10.1021/jm00165a001) / J. Med. Chem. by N.C. Cohen (1990)
DesJarlais, R.L., Sheridan, R.P., Seibel, G.L., Dixon, J.S., Kuntz, I.D. and Venkataraghavan, R., J. Med. Chem., 31 (1988) 722. (10.1021/jm00399a006) / J. Med. Chem. by R.L. DesJarlais (1988)
Lewis, R.A., J. Comput.-Aided Mol. Design, 4 (1990) 205. (10.1007/BF00125319) / J. Comput.-Aided Mol. Design by R.A. Lewis (1990)
Goodford, P.J., J. Med. Chem., 28 (1985) 849. (10.1021/jm00145a002) / J. Med. Chem. by P.J. Goodford (1985)
Tomioka, N., Itai, A. and Iitaka, Y., J. Comput.-Aided Mol. Design, 1 (1987) 197. (10.1007/BF01677044) / J. Comput.-Aided Mol. Design by N. Tomioka (1987)
Allen, F.H., Kennard, O. and Taylor, R., Acc. Chem. Res., 16 (1983) 146. (10.1021/ar00089a001) / Acc. Chem. Res. by F.H. Allen (1983)
Allen, F.H., Bellard, S., Brice, M.D., Cartwright, B.A., Doubleday, A., Higgs, H., Hummelink-Peters, T., Kennard, O., Motherwell, W.D.S., Rodgers, J.R., and Watson, D.G., Acta Crystallogr., B35 (1979) 2331. (10.1107/S0567740879009249) / Acta Crystallogr. by F.H. Allen (1979)
Hambley, T.W., Chan, H.K. and Gonda, I., J. Am. Chem. Soc., 108 (1986) 2103. (10.1021/ja00268a068) / J. Am. Chem. Soc. by T.W. Hambley (1986)
Crippen, G.M., In Bawden, D. (Ed.) Distance Geometry and Conformational Calculations, Research Studies Press (Wiley), New York, 1981, p. 1. / Distance Geometry and Conformational Calculations by G.M. Crippen (1981)
Rusinko, III, A., Skell, J.M., Balducci, R. and Pearlman, R.S., University of Texas at Austin, distributed by Tripos Ass., 1699 S. Hanley Road, St. Louis, MO 63144, 1987.
Leach, A.R., Prout, K. and Dolata, D.P., J. Comput. Chem., 11, (1990) 680. (10.1002/jcc.540110603) / J. Comput. Chem. by A.R. Leach (1990)
Hermann Hesse, Das Glasperlenspiel.
Connolly, M.L., Science, 221, (1983) 709. (10.1126/science.6879170) / Science by M.L. Connolly (1983)
Brünger, A.T., Kuriyan, J. and Karplus, M. Science, 235 (1987) 458. (10.1126/science.235.4787.458) / Science by A.T. Brünger (1987)
Taylor, R., Kennard, O. and Versichel, W., J. Am. Chem. Soc., 105 (1983) 5761. (10.1021/ja00356a010) / J. Am. Chem. Soc. by R. Taylor (1983)
Taylor, R., Kennard, O. and Versichel, W., J. Am. Chem. Soc., 106 (1984) 244. (10.1021/ja00313a047) / J. Am. Chem. Soc. by R. Taylor (1984)
Taylor, R., Kennard, O. and Versichel, W., Acta Crystallogr., B40 (1984) 280. (10.1107/S010876818400210X) / Acta Crystallogr. by R. Taylor (1984)
Burley, S.K. and Petsko, G.A., J. Am. Chem. Soc., 108 (1986) 7995. (10.1021/ja00285a019) / J. Am. Chem. Soc. by S.K. Burley (1986)
Battaglia, M.R., Buckingham, A.D. and Williams, J.H., Chem. Phys. Lett., 78 (1981) 421. (10.1016/0009-2614(81)85228-1) / Chem. Phys. Lett. by M.R. Battaglia (1981)
Reid, K.S.C., Lindley, P.F. and Thornton, J.M., FEBS Lett., 190 (1985) 209. (10.1016/0014-5793(85)81285-0) / FEBS Lett. by K.S.C. Reid (1985)
Stoddard, B.L., Bruhnke, J., Porter, N., Ringe, D. and Petsko, G.A., Biochemistry, 29 (1990) 4871. (10.1021/bi00472a017) / Biochemistry by B.L. Stoddard (1990)
Murray-Rust, P. and Glusker, J.P., J. Am. Chem. Soc., 106 (1984) 1018. (10.1021/ja00316a034) / J. Am. Chem. Soc. by P. Murray-Rust (1984)
Böhm, H.J. and Klebe, G., manuscript in preparation.
Kabsch, W., Acta Crystallogr., A32 (1976) 922, A34 (1978) 827. (10.1107/S0567739476001873) / Acta Crystallogr. by W. Kabsch (1976)
Ramachandran, G.N., Ramakrishnan, C. and Sasisekharan, V., J. Mol. Biol., 7 (1963) 95. (10.1016/S0022-2836(63)80023-6) / J. Mol. Biol. by G.N. Ramachandran (1963)
Dauber-Osguthorpe, P., Roberts, V.A., Osguthorpe, D.J., Wolff, J., Genest, M. and Hagler, A.T., Proteins, 4 (1988) 31. (10.1002/prot.340040106) / Proteins by P. Dauber-Osguthorpe (1988)
Bartlett, P.A., Shea, G.T., Telfer, S.J. and Waterman, S., In Roberts, S.M. (Ed.) Molecular Recognition: Chemical and Biological Problems, Royal Society of London, 1989, pp. 182?196.
Bruno, G. and Randaccio, L., Acta Crystallogr., B36 (1980) 1711. (10.1107/S0567740880007030) / Acta Crystallogr. by G. Bruno (1980)
Program SYBYL, distributed by Tripos Ass., 1699 S. Hanley Road, St. Louis, MO 63144.
Bolin, J.T., Filman, D.J., Matthews, D.A., Hamlin, R.C. and Kraut, J., J. Biol. Chem., 257 (1982) 13650. (10.1016/S0021-9258(18)33497-5) / J. Biol. Chem. by J.T. Bolin (1982)
Program MOLEDT, distributed by BIOSYM Technologies, San Diego, CA 92121.
Marquart, M., Walter, J., Deisenhofer, J., Bode, W. and Huber, R., Acta Crystallogr., B39 (1985) 480. (10.1107/S010876818300275X) / Acta Crystallogr. by M. Marquart (1985)
Baker, B.R. and Erickson, E.H., J. Med. Chem., 10 (1967) 1123. (10.1021/jm00318a030) / J. Med. Chem. by B.R. Baker (1967)
Stürzebecher, J., Horn, H., Markwardt, F., Wagner, G. and Walsmann, P., Pharmazie 36 (1981) 639. / Pharmazie by J. Stürzebecher (1981)
Bartunik, H.D., Summers, L.J. and Bartsch, H.H., J. Mol. Biol., 210 (1989) 813. (10.1016/0022-2836(89)90110-1) / J. Mol. Biol. by H.D. Bartunik (1989)
Badger, J., Minor, I., Kremer, M.J., Oliveira, M.O., Smith, T.J., Griffith, J.P., Guerin, D.M.A., Krishnaswamy, S., Luo, M., Rossmann, M.G., McKinlay, M.A., Diana, G.D., Dutko, F.J., Fancher, M., Rueckert, R.R. and Heinz, B.A., Proc. Natl. Acad. Sci. U.S.A., 85 (1988) 3304. (10.1073/pnas.85.10.3304) / Proc. Natl. Acad. Sci. U.S.A. by J. Badger (1988)
Morgan, B.P., Scholtz, J.M., Ballinger, M.D., Zipkin, I.D. and Bartlett, P.A., J. Am. Chem. Soc., 113 (1991) 297. (10.1021/ja00001a043) / J. Am. Chem. Soc. by B.P. Morgan (1991)
Böhm, H.J., to be published.

Dates

Type	When
Created	20 years, 9 months ago (Oct. 31, 2004, 6:13 a.m.)
Deposited	4 years, 1 month ago (June 27, 2021, 4:30 a.m.)
Indexed	6 days, 11 hours ago (Aug. 19, 2025, 5:58 a.m.)
Issued	33 years, 6 months ago (Feb. 1, 1992)
Published	33 years, 6 months ago (Feb. 1, 1992)
Published Print	33 years, 6 months ago (Feb. 1, 1992)

Funders 0

None

BibTeX

@article{B_hm_1992, title={The computer program LUDI: A new method for the de novo design of enzyme inhibitors}, volume={6}, ISSN={1573-4951}, url={http://dx.doi.org/10.1007/bf00124387}, DOI={10.1007/bf00124387}, number={1}, journal={Journal of Computer-Aided Molecular Design}, publisher={Springer Science and Business Media LLC}, author={B�hm, Hans-Joachim}, year={1992}, month=feb, pages={61–78} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        19
      ]
    ],
    "date-time": "2025-08-19T09:58:41Z",
    "timestamp": 1755597521172
  },
  "reference-count": 39,
  "publisher": "Springer Science and Business Media LLC",
  "issue": "1",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1992,
            2,
            1
          ]
        ],
        "date-time": "1992-02-01T00:00:00Z",
        "timestamp": 696902400000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "http://www.springer.com/tdm"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1992,
        2
      ]
    ]
  },
  "DOI": "10.1007/bf00124387",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        10,
        31
      ]
    ],
    "date-time": "2004-10-31T11:13:56Z",
    "timestamp": 1099221236000
  },
  "page": "61-78",
  "source": "Crossref",
  "is-referenced-by-count": 694,
  "title": "The computer program LUDI: A new method for the de novo design of enzyme inhibitors",
  "prefix": "10.1007",
  "volume": "6",
  "author": [
    {
      "given": "Hans-Joachim",
      "family": "B\ufffdhm",
      "sequence": "first",
      "affiliation": []
    }
  ],
  "member": "297",
  "reference": [
    {
      "key": "CR1",
      "doi-asserted-by": "crossref",
      "first-page": "535",
      "DOI": "10.1016/S0022-2836(77)80200-3",
      "volume": "112",
      "author": "F.C. Bernstein",
      "year": "1977",
      "unstructured": "Bernstein, F.C., Koetzle, T.F., Williams, G.J.B., MeyerJr., E.F., Brice, M.D., Rodgers, J.R., Kennard, O., Shimanouchi, T. and Tasumi, T., J. Mol. Biol., 112 (1977) 535.",
      "journal-title": "J. Mol. Biol."
    },
    {
      "key": "CR2",
      "doi-asserted-by": "crossref",
      "first-page": "883",
      "DOI": "10.1021/jm00165a001",
      "volume": "33",
      "author": "N.C. Cohen",
      "year": "1990",
      "unstructured": "Cohen, N.C., Blaney, J.M., Humblet, C., Gund, P. and Barry, D.C., J. Med. Chem., 33 (1990) 883.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "CR3",
      "doi-asserted-by": "crossref",
      "first-page": "722",
      "DOI": "10.1021/jm00399a006",
      "volume": "31",
      "author": "R.L. DesJarlais",
      "year": "1988",
      "unstructured": "DesJarlais, R.L., Sheridan, R.P., Seibel, G.L., Dixon, J.S., Kuntz, I.D. and Venkataraghavan, R., J. Med. Chem., 31 (1988) 722.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "CR4",
      "doi-asserted-by": "crossref",
      "first-page": "205",
      "DOI": "10.1007/BF00125319",
      "volume": "4",
      "author": "R.A. Lewis",
      "year": "1990",
      "unstructured": "Lewis, R.A., J. Comput.-Aided Mol. Design, 4 (1990) 205.",
      "journal-title": "J. Comput.-Aided Mol. Design"
    },
    {
      "key": "CR5",
      "doi-asserted-by": "crossref",
      "first-page": "849",
      "DOI": "10.1021/jm00145a002",
      "volume": "28",
      "author": "P.J. Goodford",
      "year": "1985",
      "unstructured": "Goodford, P.J., J. Med. Chem., 28 (1985) 849.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "CR6",
      "doi-asserted-by": "crossref",
      "first-page": "197",
      "DOI": "10.1007/BF01677044",
      "volume": "1",
      "author": "N. Tomioka",
      "year": "1987",
      "unstructured": "Tomioka, N., Itai, A. and Iitaka, Y., J. Comput.-Aided Mol. Design, 1 (1987) 197.",
      "journal-title": "J. Comput.-Aided Mol. Design"
    },
    {
      "key": "CR7",
      "doi-asserted-by": "crossref",
      "first-page": "146",
      "DOI": "10.1021/ar00089a001",
      "volume": "16",
      "author": "F.H. Allen",
      "year": "1983",
      "unstructured": "Allen, F.H., Kennard, O. and Taylor, R., Acc. Chem. Res., 16 (1983) 146.",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "CR8",
      "doi-asserted-by": "crossref",
      "first-page": "2331",
      "DOI": "10.1107/S0567740879009249",
      "volume": "35",
      "author": "F.H. Allen",
      "year": "1979",
      "unstructured": "Allen, F.H., Bellard, S., Brice, M.D., Cartwright, B.A., Doubleday, A., Higgs, H., Hummelink-Peters, T., Kennard, O., Motherwell, W.D.S., Rodgers, J.R., and Watson, D.G., Acta Crystallogr., B35 (1979) 2331.",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "CR9",
      "doi-asserted-by": "crossref",
      "first-page": "2103",
      "DOI": "10.1021/ja00268a068",
      "volume": "108",
      "author": "T.W. Hambley",
      "year": "1986",
      "unstructured": "Hambley, T.W., Chan, H.K. and Gonda, I., J. Am. Chem. Soc., 108 (1986) 2103.",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "CR10",
      "volume-title": "Distance Geometry and Conformational Calculations",
      "author": "G.M. Crippen",
      "year": "1981",
      "unstructured": "Crippen, G.M., In Bawden, D. (Ed.) Distance Geometry and Conformational Calculations, Research Studies Press (Wiley), New York, 1981, p. 1."
    },
    {
      "key": "CR11",
      "unstructured": "Rusinko, III, A., Skell, J.M., Balducci, R. and Pearlman, R.S., University of Texas at Austin, distributed by Tripos Ass., 1699 S. Hanley Road, St. Louis, MO 63144, 1987."
    },
    {
      "key": "CR12",
      "doi-asserted-by": "crossref",
      "first-page": "680",
      "DOI": "10.1002/jcc.540110603",
      "volume": "11",
      "author": "A.R. Leach",
      "year": "1990",
      "unstructured": "Leach, A.R., Prout, K. and Dolata, D.P., J. Comput. Chem., 11, (1990) 680.",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "CR13",
      "unstructured": "Hermann Hesse, Das Glasperlenspiel."
    },
    {
      "key": "CR14",
      "doi-asserted-by": "crossref",
      "first-page": "709",
      "DOI": "10.1126/science.6879170",
      "volume": "221",
      "author": "M.L. Connolly",
      "year": "1983",
      "unstructured": "Connolly, M.L., Science, 221, (1983) 709.",
      "journal-title": "Science"
    },
    {
      "key": "CR15",
      "doi-asserted-by": "crossref",
      "first-page": "458",
      "DOI": "10.1126/science.235.4787.458",
      "volume": "235",
      "author": "A.T. Br\u00fcnger",
      "year": "1987",
      "unstructured": "Br\u00fcnger, A.T., Kuriyan, J. and Karplus, M. Science, 235 (1987) 458.",
      "journal-title": "Science"
    },
    {
      "key": "CR16",
      "doi-asserted-by": "crossref",
      "first-page": "5761",
      "DOI": "10.1021/ja00356a010",
      "volume": "105",
      "author": "R. Taylor",
      "year": "1983",
      "unstructured": "Taylor, R., Kennard, O. and Versichel, W., J. Am. Chem. Soc., 105 (1983) 5761.",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "CR17",
      "doi-asserted-by": "crossref",
      "first-page": "244",
      "DOI": "10.1021/ja00313a047",
      "volume": "106",
      "author": "R. Taylor",
      "year": "1984",
      "unstructured": "Taylor, R., Kennard, O. and Versichel, W., J. Am. Chem. Soc., 106 (1984) 244.",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "CR18",
      "doi-asserted-by": "crossref",
      "first-page": "280",
      "DOI": "10.1107/S010876818400210X",
      "volume": "40",
      "author": "R. Taylor",
      "year": "1984",
      "unstructured": "Taylor, R., Kennard, O. and Versichel, W., Acta Crystallogr., B40 (1984) 280.",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "CR19",
      "doi-asserted-by": "crossref",
      "first-page": "7995",
      "DOI": "10.1021/ja00285a019",
      "volume": "108",
      "author": "S.K. Burley",
      "year": "1986",
      "unstructured": "Burley, S.K. and Petsko, G.A., J. Am. Chem. Soc., 108 (1986) 7995.",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "CR20",
      "doi-asserted-by": "crossref",
      "first-page": "421",
      "DOI": "10.1016/0009-2614(81)85228-1",
      "volume": "78",
      "author": "M.R. Battaglia",
      "year": "1981",
      "unstructured": "Battaglia, M.R., Buckingham, A.D. and Williams, J.H., Chem. Phys. Lett., 78 (1981) 421.",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "CR21",
      "doi-asserted-by": "crossref",
      "first-page": "209",
      "DOI": "10.1016/0014-5793(85)81285-0",
      "volume": "190",
      "author": "K.S.C. Reid",
      "year": "1985",
      "unstructured": "Reid, K.S.C., Lindley, P.F. and Thornton, J.M., FEBS Lett., 190 (1985) 209.",
      "journal-title": "FEBS Lett."
    },
    {
      "key": "CR22",
      "doi-asserted-by": "crossref",
      "first-page": "4871",
      "DOI": "10.1021/bi00472a017",
      "volume": "29",
      "author": "B.L. Stoddard",
      "year": "1990",
      "unstructured": "Stoddard, B.L., Bruhnke, J., Porter, N., Ringe, D. and Petsko, G.A., Biochemistry, 29 (1990) 4871.",
      "journal-title": "Biochemistry"
    },
    {
      "key": "CR23",
      "doi-asserted-by": "crossref",
      "first-page": "1018",
      "DOI": "10.1021/ja00316a034",
      "volume": "106",
      "author": "P. Murray-Rust",
      "year": "1984",
      "unstructured": "Murray-Rust, P. and Glusker, J.P., J. Am. Chem. Soc., 106 (1984) 1018.",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "CR24",
      "unstructured": "B\u00f6hm, H.J. and Klebe, G., manuscript in preparation."
    },
    {
      "key": "CR25",
      "doi-asserted-by": "crossref",
      "first-page": "922",
      "DOI": "10.1107/S0567739476001873",
      "volume": "32",
      "author": "W. Kabsch",
      "year": "1976",
      "unstructured": "Kabsch, W., Acta Crystallogr., A32 (1976) 922, A34 (1978) 827.",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "CR26",
      "doi-asserted-by": "crossref",
      "first-page": "95",
      "DOI": "10.1016/S0022-2836(63)80023-6",
      "volume": "7",
      "author": "G.N. Ramachandran",
      "year": "1963",
      "unstructured": "Ramachandran, G.N., Ramakrishnan, C. and Sasisekharan, V., J. Mol. Biol., 7 (1963) 95.",
      "journal-title": "J. Mol. Biol."
    },
    {
      "key": "CR27",
      "doi-asserted-by": "crossref",
      "first-page": "31",
      "DOI": "10.1002/prot.340040106",
      "volume": "4",
      "author": "P. Dauber-Osguthorpe",
      "year": "1988",
      "unstructured": "Dauber-Osguthorpe, P., Roberts, V.A., Osguthorpe, D.J., Wolff, J., Genest, M. and Hagler, A.T., Proteins, 4 (1988) 31.",
      "journal-title": "Proteins"
    },
    {
      "key": "CR28",
      "unstructured": "Bartlett, P.A., Shea, G.T., Telfer, S.J. and Waterman, S., In Roberts, S.M. (Ed.) Molecular Recognition: Chemical and Biological Problems, Royal Society of London, 1989, pp. 182?196."
    },
    {
      "key": "CR29",
      "doi-asserted-by": "crossref",
      "first-page": "1711",
      "DOI": "10.1107/S0567740880007030",
      "volume": "36",
      "author": "G. Bruno",
      "year": "1980",
      "unstructured": "Bruno, G. and Randaccio, L., Acta Crystallogr., B36 (1980) 1711.",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "CR30",
      "unstructured": "Program SYBYL, distributed by Tripos Ass., 1699 S. Hanley Road, St. Louis, MO 63144."
    },
    {
      "key": "CR31",
      "doi-asserted-by": "crossref",
      "first-page": "13650",
      "DOI": "10.1016/S0021-9258(18)33497-5",
      "volume": "257",
      "author": "J.T. Bolin",
      "year": "1982",
      "unstructured": "Bolin, J.T., Filman, D.J., Matthews, D.A., Hamlin, R.C. and Kraut, J., J. Biol. Chem., 257 (1982) 13650.",
      "journal-title": "J. Biol. Chem."
    },
    {
      "key": "CR32",
      "unstructured": "Program MOLEDT, distributed by BIOSYM Technologies, San Diego, CA 92121."
    },
    {
      "key": "CR33",
      "doi-asserted-by": "crossref",
      "first-page": "480",
      "DOI": "10.1107/S010876818300275X",
      "volume": "39",
      "author": "M. Marquart",
      "year": "1985",
      "unstructured": "Marquart, M., Walter, J., Deisenhofer, J., Bode, W. and Huber, R., Acta Crystallogr., B39 (1985) 480.",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "CR34",
      "doi-asserted-by": "crossref",
      "first-page": "1123",
      "DOI": "10.1021/jm00318a030",
      "volume": "10",
      "author": "B.R. Baker",
      "year": "1967",
      "unstructured": "Baker, B.R. and Erickson, E.H., J. Med. Chem., 10 (1967) 1123.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "CR35",
      "first-page": "639",
      "volume": "36",
      "author": "J. St\u00fcrzebecher",
      "year": "1981",
      "unstructured": "St\u00fcrzebecher, J., Horn, H., Markwardt, F., Wagner, G. and Walsmann, P., Pharmazie 36 (1981) 639.",
      "journal-title": "Pharmazie"
    },
    {
      "key": "CR36",
      "doi-asserted-by": "crossref",
      "first-page": "813",
      "DOI": "10.1016/0022-2836(89)90110-1",
      "volume": "210",
      "author": "H.D. Bartunik",
      "year": "1989",
      "unstructured": "Bartunik, H.D., Summers, L.J. and Bartsch, H.H., J. Mol. Biol., 210 (1989) 813.",
      "journal-title": "J. Mol. Biol."
    },
    {
      "key": "CR37",
      "doi-asserted-by": "crossref",
      "first-page": "3304",
      "DOI": "10.1073/pnas.85.10.3304",
      "volume": "85",
      "author": "J. Badger",
      "year": "1988",
      "unstructured": "Badger, J., Minor, I., Kremer, M.J., Oliveira, M.O., Smith, T.J., Griffith, J.P., Guerin, D.M.A., Krishnaswamy, S., Luo, M., Rossmann, M.G., McKinlay, M.A., Diana, G.D., Dutko, F.J., Fancher, M., Rueckert, R.R. and Heinz, B.A., Proc. Natl. Acad. Sci. U.S.A., 85 (1988) 3304.",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "CR38",
      "doi-asserted-by": "crossref",
      "first-page": "297",
      "DOI": "10.1021/ja00001a043",
      "volume": "113",
      "author": "B.P. Morgan",
      "year": "1991",
      "unstructured": "Morgan, B.P., Scholtz, J.M., Ballinger, M.D., Zipkin, I.D. and Bartlett, P.A., J. Am. Chem. Soc., 113 (1991) 297.",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "CR39",
      "unstructured": "B\u00f6hm, H.J., to be published."
    }
  ],
  "container-title": "Journal of Computer-Aided Molecular Design",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://link.springer.com/content/pdf/10.1007/BF00124387.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "http://link.springer.com/article/10.1007/BF00124387/fulltext.html",
      "content-type": "text/html",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "http://link.springer.com/content/pdf/10.1007/BF00124387",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        6,
        27
      ]
    ],
    "date-time": "2021-06-27T08:30:55Z",
    "timestamp": 1624782655000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "http://link.springer.com/10.1007/BF00124387"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1992,
        2
      ]
    ]
  },
  "references-count": 39,
  "journal-issue": {
    "issue": "1",
    "published-print": {
      "date-parts": [
        [
          1992,
          2
        ]
      ]
    }
  },
  "alternative-id": [
    "BF00124387"
  ],
  "URL": "http://dx.doi.org/10.1007/BF00124387",
  "relation": {},
  "ISSN": [
    "0920-654X",
    "1573-4951"
  ],
  "subject": [],
  "container-title-short": "J Computer-Aided Mol Des",
  "published": {
    "date-parts": [
      [
        1992,
        2
      ]
    ]
  }
}