{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,24]],"date-time":"2025-10-24T07:49:57Z","timestamp":1761292197048},"reference-count":38,"publisher":"Springer Science and Business Media LLC","issue":"3","license":[{"start":{"date-parts":[[1994,6,1]],"date-time":"1994-06-01T00:00:00Z","timestamp":770428800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Computer-Aided Mol Des"],"published-print":{"date-parts":[[1994,6]]},"DOI":"10.1007\/bf00126742","type":"journal-article","created":{"date-parts":[[2004,10,31]],"date-time":"2004-10-31T08:08:47Z","timestamp":1099210127000},"page":"231-242","source":"Crossref","is-referenced-by-count":43,"title":["A shape- and chemistry-based docking method and its use in the design of HIV-1 protease inhibitors"],"prefix":"10.1007","volume":"8","author":[{"given":"Renee L.","family":"DesJarlais","sequence":"first","affiliation":[]},{"given":"J. Scott","family":"Dixon","sequence":"additional","affiliation":[]}],"member":"297","reference":[{"key":"CR1","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/0022-2836(82)90153-X","volume":"161","author":"I.D. Kuntz","year":"1982","unstructured":"Kuntz, I.D., Blaney, J.M., Oatley, S.J., Langridge, R. and Ferrin, T.E., J. Mol. Biol., 161 (1982) 269.","journal-title":"J. Mol. Biol."},{"key":"CR2","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":"CR3","doi-asserted-by":"crossref","first-page":"1078","DOI":"10.1126\/science.257.5073.1078","volume":"257","author":"I.D. Kuntz","year":"1992","unstructured":"Kuntz, I.D., Science, 257 (1992) 1078.","journal-title":"Science"},{"key":"CR4","doi-asserted-by":"crossref","first-page":"314","DOI":"10.1002\/prot.340110409","volume":"11","author":"J.B. Moon","year":"1991","unstructured":"Moon, J.B. and Howe, W.J., Protein Struct. Funct. Genet., 11 (1991) 314.","journal-title":"Protein Struct. Funct. Genet."},{"key":"CR5","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1007\/BF00124387","volume":"6","author":"H.-J. B\u00f6hm","year":"1992","unstructured":"B\u00f6hm, H.-J. J. Comput.-Aided Mol. Design, 6 (1992) 61.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"CR6","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1016\/0263-7855(92)80059-M","volume":"10","author":"R.A. Lewis","year":"1992","unstructured":"Lewis, R.A., Roe, D.C., Huang, C., Ferrin, T.E., Langridge, R. and Kuntz, I.D., J. Mol. Graphics, 10 (1992) 66.","journal-title":"J. Mol. Graphics"},{"key":"CR7","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1002\/jcc.540130412","volume":"13","author":"E.C. Meng","year":"1992","unstructured":"Meng, E.C., Shoichet, B.K. and Kuntz, I.D., J. Comput. Chem., 13 (1992) 505.","journal-title":"J. Comput. Chem."},{"key":"CR8","doi-asserted-by":"crossref","first-page":"730","DOI":"10.1002\/jcc.540130608","volume":"13","author":"A.R. Leach","year":"1992","unstructured":"Leach, A.R. and Kuntz, I.D., J. Comput. Chem., 13 (1992) 730.","journal-title":"J. Comput. Chem."},{"key":"CR9","doi-asserted-by":"crossref","first-page":"2717","DOI":"10.1016\/S0960-894X(01)80749-6","volume":"3","author":"B. Chenera","year":"1993","unstructured":"Chenera, B., DesJarlais, R.L., Finkelstein, J.P., Eggleston, D.S., Meek, T.D., TomaszekJr., T.A. and Dreyer, G.B., Bioorg. Med. Chem. Lett., 3 (1993) 2717.","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"CR10","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1146\/annurev.bb.06.060177.001055","volume":"6","author":"F.M. Richards","year":"1977","unstructured":"Richards, F.M., Annu. Rev. Biophys. Bioeng. 6 (1977) 151.","journal-title":"Annu. Rev. Biophys. Bioeng."},{"key":"CR11","first-page":"700","volume":"221","author":"M.I. Connoliy","year":"1983","unstructured":"Connoliy, M.I., Science, 221 (1983) 700.","journal-title":"Science"},{"key":"CR12","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":"CR13","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1002\/prot.340110104","volume":"11","author":"A. Miranker","year":"1991","unstructured":"Miranker, A. and Karplus, M., Protein Struct. Funct. Genet., 11 (1991) 29.","journal-title":"Protein Struct. Funct. Genet."},{"key":"CR14","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., Meyer, E.F., Brice, M.D., Rodgers, J.R. Kennard, O., Shimanouchi, T. and Tasumi, M., J. Mol. Biol., 112 (1977) 535.","journal-title":"J. Mol. Biol."},{"key":"CR15","volume-title":"Crystallographic Database-Information Content, Software Systems, Scientific Applications","author":"E. Abola","year":"1987","unstructured":"Abola, E., Bernstein, F.C., Bryant, S.H., Koetzle, T.F. and Weng, J., In Allen, F.H., Bergerhoff, G. and Sievers, R. (Eds.) Crystallographic Database-Information Content, Software Systems, Scientific Applications, Data Commission of the International Union of Crystallography, Cambridge, 1987, p. 107."},{"key":"CR16","first-page":"373","volume":"212","author":"W.I. Weis","year":"1990","unstructured":"Weis, W.I., Bruenger, A.T., Skehel, J.J. and Wiley, D.C., J. Mol. Biol., 212 (1990) 373.","journal-title":"J. Mol. Biol."},{"key":"CR17","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.A., Brice, M.D., Cartwright, B.A. Doubleday, A., Higgs, H., Hummelink, T., Hummelink-Peters, B.G., Kennard, O., Motherwell, W.D.S., Rodgers, J.R. and Watson, D.G., Acta Crystallogr., B35 (1979) 2331.","journal-title":"Acta Crystallogr."},{"key":"CR18","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1111\/j.1432-1033.1986.tb09664.x","volume":"157","author":"D.E. Tronrud","year":"1986","unstructured":"Tronrud, D.E., Monzingo, A.F. and Matthews, B.W., Eur. J. Biochem., 157 (1986) 261.","journal-title":"Eur. J. Biochem."},{"key":"CR19","doi-asserted-by":"crossref","first-page":"5724","DOI":"10.1021\/bi00319a010","volume":"23","author":"A.F. Monzingo","year":"1984","unstructured":"Monzingo, A.F. and Matthews, B.W., Biochemistry, 23 (1984) 5724.","journal-title":"Biochemistry"},{"key":"CR20","doi-asserted-by":"crossref","first-page":"6912","DOI":"10.1021\/bi00527a026","volume":"20","author":"M.A. Holmes","year":"1981","unstructured":"Holmes, M.A. and Matthews, B.W., Biochemistry, 20 (1981) 6912.","journal-title":"Biochemistry"},{"key":"CR21","doi-asserted-by":"crossref","first-page":"8542","DOI":"10.1021\/bi00400a008","volume":"26","author":"H.M. Holden","year":"1987","unstructured":"Holden, H.M., Tronrud, D.E., Monzingo, A.F., Weaver, L.H. and Matthews, B.W., Biochemistry, 26 (1987) 8542.","journal-title":"Biochemistry"},{"key":"CR22","doi-asserted-by":"crossref","first-page":"571","DOI":"10.1126\/science.3810156","volume":"235","author":"D.E. Tronrud","year":"1987","unstructured":"Tronrud, D.E., Holden, H.M. and Matthews, B.W., Science, 235 (1987) 571.","journal-title":"Science"},{"key":"CR23","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1089\/aid.1992.8.153","volume":"8","author":"C. Debouck","year":"1992","unstructured":"Debouck, C., AIDS Res. Hum. Retroviruses, 8 (1992) 153.","journal-title":"AIDS Res. Hum. Retroviruses"},{"key":"CR24","doi-asserted-by":"crossref","first-page":"616","DOI":"10.1126\/science.2548279","volume":"245","author":"A. Wlodawer","year":"1989","unstructured":"Wlodawer, A., Miller, M., Jaskolski, M., Sathyanarayana, B.K., Baldwin, E., Weber, I.T., Selk, I.M., Clawson, L., Schneider, J. and Kent, S.B.H., Science, 245 (1989) 616.","journal-title":"Science"},{"key":"CR25","doi-asserted-by":"crossref","first-page":"1149","DOI":"10.1126\/science.2686029","volume":"246","author":"M. Miller","year":"1989","unstructured":"Miller, M., Schneider, J., Sathyanarayana, B.K., Toth, M.V., Marshall, G.R., Clawson, L., Selk, L., Kent, S.B.H. and Wlodawer, A., Science, 246 (1989) 1149.","journal-title":"Science"},{"key":"CR26","doi-asserted-by":"crossref","first-page":"8805","DOI":"10.1073\/pnas.87.22.8805","volume":"87","author":"A.L. Swain","year":"1990","unstructured":"Swain, A.L., Miller, M.M., Green, J., Rich, D.H., Kent, S.B.H. and Wlodawer, A., Proc. Natl. Acad. Sci. USA, 87 (1990) 8805.","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"CR27","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1126\/science.2200122","volume":"249","author":"J. Erickson","year":"1990","unstructured":"Erickson, J., Neidhart, D.J., Van, Drie, J., Kempf, D.J., Wang, X.C., Norbeck, D.W., Plattner, J.J., Rittenhouse, J.W., Turon, M., Wideburg, N., Kohlbrenner, W.E., Simmer, R., Helfrich, R., Paul, D.A. and Knigge, M., Science, 249 (1990) 527.","journal-title":"Science"},{"key":"CR28","doi-asserted-by":"crossref","first-page":"1600","DOI":"10.1021\/bi00220a023","volume":"30","author":"M. Jaskolski","year":"1991","unstructured":"Jaskolski, M., Tomasselli, A.G., Sawyer, T.K., Staples, D.G., Heinrikson, R.L., Schneider, J., Kent, S.B.H. and Wlodawer, A., Biochemistry, 30 (1991) 1600.","journal-title":"Biochemistry"},{"key":"CR29","doi-asserted-by":"crossref","first-page":"9382","DOI":"10.1021\/ja00024a061","volume":"113","author":"R. Bone","year":"1991","unstructured":"Bone, R., Vacca, J.P., Anderson, P.S. and Holloway, M.K., J. Am. Chem. Soc., 113 (1991) 9382.","journal-title":"J. Am. Chem. Soc."},{"key":"CR30","doi-asserted-by":"crossref","first-page":"6646","DOI":"10.1021\/bi00144a004","volume":"31","author":"G.B. Dreyer","year":"1992","unstructured":"Dreyer, G.B., Lambert, D.M., Meek, T.D., Carr, T.J., TomaszekJr., T.A., Fernandez, A.V., Bartus, H., Cacciavillani, E., Hassell, A.M., Mimmich, M., PettewayJr., S.R., Metcalf, B.W. and Lewis, M., Biochemistry, 31 (1992) 6646.","journal-title":"Biochemistry"},{"key":"CR31","doi-asserted-by":"crossref","first-page":"937","DOI":"10.1021\/bi00054a027","volume":"32","author":"G.B. Dreyer","year":"1993","unstructured":"Dreyer, G.B., Boehm, J.C., Chenera, B., DesJarlais, R.L., Hassell, A.M., Meek, T.D., TomaszekJr., T.A. and Lewis, M., Biochemistry, 32 (1993) 937.","journal-title":"Biochemistry"},{"key":"CR32","volume-title":"CONCORD","author":"A. Rusinko III","year":"1988","unstructured":"RusinkoIII, A., Skell, J.M., Balducci, R., McGarity, C.M. and Pearlman, R.S., CONCORD, University of Texas, Austin, TX and Tripos Associates, St. Louis, MO, 1988."},{"key":"CR33","doi-asserted-by":"crossref","first-page":"8388","DOI":"10.1021\/bi00447a018","volume":"28","author":"N.K. Sauter","year":"1989","unstructured":"Sauter, N.K., Bednarski, M.D., Wurzburg, B.A., Hanson, J.E., Whitesides, G.M., Skehel, J.J. and Wiley, D.C., Biochemistry, 28 (1989) 8388.","journal-title":"Biochemistry"},{"key":"CR34","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1002\/jcc.540020311","volume":"2","author":"P.K. Weiner","year":"1981","unstructured":"Weiner, P.K. and Kollman, P.A., J. Comput. Chem., 2 (1981) 287.","journal-title":"J. Comput. Chem."},{"key":"CR35","volume-title":"AMBER, Version 3.0A","author":"G.L. Seibel","year":"1989","unstructured":"Seibel, G.L., AMBER, Version 3.0A, University of California, San Francisco, CA, 1989."},{"key":"CR36","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1002\/prot.340120105","volume":"12","author":"M.C. Lawrence","year":"1992","unstructured":"Lawrence, M.C. and Davis, P.C., Protein Struct. Funct. Genet., 12 (1992) 31.","journal-title":"Protein Struct. Funct. Genet."},{"key":"CR37","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1002\/jcc.540130311","volume":"13","author":"B.K. Shoichet","year":"1992","unstructured":"Shoichet, B.K., Bodian, D.L. and Kuntz, I.D., J. Comput. Chem., 13 (1992) 380.","journal-title":"J. Comput. Chem."},{"key":"CR38","doi-asserted-by":"crossref","first-page":"380","DOI":"10.1126\/science.8278812","volume":"263","author":"P.Y.S. Lam","year":"1994","unstructured":"Lam, P.Y.S., Jadhav, P.K., Eyermann, C.J., Hodge, C.N., Ru, Y., Bacheler, L.T., Meek, J.L., Otto, M.J., Rayner, M.M., Wong, Y.N., Chang, C.-H., Weber, P.C., Jackson, D.A., Sharpe, T.R., and Erickson-Viitanen, S., Science, 263 (1994) 380.","journal-title":"Science"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00126742.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/BF00126742\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00126742","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,4,3]],"date-time":"2019-04-03T05:19:48Z","timestamp":1554268788000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/BF00126742"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1994,6]]},"references-count":38,"journal-issue":{"issue":"3","published-print":{"date-parts":[[1994,6]]}},"alternative-id":["BF00126742"],"URL":"https:\/\/doi.org\/10.1007\/bf00126742","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[1994,6]]}}}