{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T12:05:47Z","timestamp":1749125147865},"reference-count":31,"publisher":"Springer Science and Business Media LLC","issue":"2","license":[{"start":{"date-parts":[[1992,4,1]],"date-time":"1992-04-01T00:00:00Z","timestamp":702086400000},"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":[[1992,4]]},"DOI":"10.1007\/bf00129422","type":"journal-article","created":{"date-parts":[[2004,10,31]],"date-time":"2004-10-31T10:00:51Z","timestamp":1099216851000},"page":"97-112","source":"Crossref","is-referenced-by-count":41,"title":["Conformational search by potential energy annealing: Algorithm and application to cyclosporin A"],"prefix":"10.1007","volume":"6","author":[{"given":"Ren\u00e9 C.","family":"van Schaik","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wilfred F.","family":"van Gunsteren","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Herman J. C.","family":"Berendsen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"CR1","volume-title":"Computers and Intractability: A guide to the Theory of NP-Completeness","author":"M.R. Garey","year":"1979","unstructured":"Garey, M.R. and Johnson, D.S., Computers and Intractability: A guide to the Theory of NP-Completeness, Freeman, San Francisco, 1979."},{"key":"CR2","doi-asserted-by":"crossref","first-page":"8426","DOI":"10.1021\/ja00779a023","volume":"94","author":"K.B. Wiberg","year":"1972","unstructured":"Wiberg, K.B. and Boyd, R.H., J. Am. Chem. Soc., 94 (1972) 8426.","journal-title":"J. Am. Chem. Soc."},{"key":"CR3","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1002\/jcc.540090409","volume":"9","author":"M. Lipton","year":"1988","unstructured":"Lipton, M. and Still, W.C., J. Comput. Chem., 9 (1988) 343.","journal-title":"J. Comput. Chem."},{"key":"CR4","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1007\/BF00933356","volume":"34","author":"A.O. Griewank","year":"1981","unstructured":"Griewank, A.O., J. Opt. Theor. Appl., 34 (1981) 11.","journal-title":"J. Opt. Theor. Appl."},{"key":"CR5","unstructured":"A recent monograph on Molecular Dynamics and Monte Carlo techniques is: Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids, Clarendon, Oxford, 1987."},{"key":"CR6","doi-asserted-by":"crossref","first-page":"1001","DOI":"10.1002\/bip.1980.360190506","volume":"19","author":"S.H. Northrup","year":"1980","unstructured":"Northrup, S.H. and McCammon, J.A., Biopolymers, 19 (1980) 1001.","journal-title":"Biopolymers"},{"key":"CR7","doi-asserted-by":"crossref","first-page":"2044","DOI":"10.1021\/ma00140a029","volume":"17","author":"A. DiNola","year":"1984","unstructured":"DiNola, A., Berendsen, H.J.C. and Edholm, O., Macromolecules, 17 (1984) 2044.","journal-title":"Macromolecules"},{"key":"CR8","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1126\/science.220.4598.671","volume":"220","author":"S. Kirkpatrick","year":"1983","unstructured":"Kirkpatrick, S., Gelatti, Jr., C.D. and Vecchi, M.P., Science, 220 (1983) 671.","journal-title":"Science"},{"key":"CR9","unstructured":"van Gunsteren, W.F., Kaptein, R. and Zuiderweg, E.R.P., In Olson, W.K. (Ed.) Nucleic Acid Conformation and Dynamics, Proceedings of a NATO\/CECAM Workshop, CECAM, Orsay, 1984, pp. 79?92."},{"key":"CR10","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":"CR11","first-page":"3","volume":"29","author":"H.A. Scheraga","year":"1989","unstructured":"For a review see: Scheraga, H.A., Chemica Scripta, 29A (1989) 3.","journal-title":"Chemica Scripta"},{"key":"CR12","doi-asserted-by":"crossref","first-page":"3339","DOI":"10.1021\/j100345a090","volume":"93","author":"L. Piela","year":"1989","unstructured":"Piela, L., Kostrowicki, J. and Scheraga, H.A., J. Phys. Chem., 93 (1989) 3339.","journal-title":"J. Phys. Chem."},{"key":"CR13","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1016\/0014-5793(88)80559-3","volume":"239","author":"M. Nilges","year":"1988","unstructured":"Nilges, M., Clore, G.M. and Gronenborn, A.M., FEBS Lett., 239 (1988) 129.","journal-title":"FEBS Lett."},{"key":"CR14","doi-asserted-by":"crossref","first-page":"471","DOI":"10.1002\/jcc.540030404","volume":"3","author":"G.M. Crippen","year":"1982","unstructured":"Crippen, G.M., J. Comput. Chem., 3 (1982) 471.","journal-title":"J. Comput. Chem."},{"key":"CR15","doi-asserted-by":"crossref","first-page":"548","DOI":"10.1002\/jcc.540050607","volume":"5","author":"G.M. Crippen","year":"1984","unstructured":"Crippen, G.M., J. Comput. Chem., 5 (1984) 548.","journal-title":"J. Comput. Chem."},{"key":"CR16","doi-asserted-by":"crossref","first-page":"2782","DOI":"10.1073\/pnas.83.9.2782","volume":"83","author":"E.O. Purisma","year":"1986","unstructured":"Purisma, E.O. and Scheraga, H.A., Proc. Natl. Acad. Sci. U.S.A., 83 (1986) 2782.","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"CR17","doi-asserted-by":"crossref","first-page":"697","DOI":"10.1016\/0022-2836(87)90041-6","volume":"196","author":"E.O. Purisma","year":"1987","unstructured":"Purisma, E.O. and Scheraga, H.A., J. Mol. Biol., 196 (1987) 697.","journal-title":"J. Mol. Biol."},{"key":"CR18","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1002\/qua.560340856","volume":"22","author":"R.A. Donnelly","year":"1988","unstructured":"Donnelly, R.A. and Rogers, Jr., J.W., Int. J. Quantum Chem.: Quantum Chem. Symp., 22 (1988) 507.","journal-title":"Int. J. Quantum Chem.: Quantum Chem. Symp."},{"key":"CR19","first-page":"177","volume-title":"Characterizing Complex Systems","author":"R.M.J. Cotterill","year":"1990","unstructured":"Cotterill, R.M.J. and Madsen, J.U., In Characterizing Complex Systems, Bohr, H. (Ed.) World Scientific, Singapore, 1990, pp. 177?191."},{"key":"CR20","doi-asserted-by":"crossref","first-page":"281","DOI":"10.1111\/j.1399-3011.1989.tb01283.x","volume":"33","author":"J. Lautz","year":"1989","unstructured":"Lautz, J., Kessler, H., Blaney, J.M., Scheek, R.M. and van, Gunsteren, W.F., Int. J. Pept. Prot. Res., 33 (1989) 281.","journal-title":"Int. J. Pept. Prot. Res."},{"key":"CR21","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1007\/BF01677046","volume":"1","author":"J. Lautz","year":"1987","unstructured":"Lautz, J., Kessler, H., Kaptein, R. and van, Gunsteren, W.F., J. Comput.-Aided Mol. Design, 1 (1987) 219.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"CR22","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"H.J.C. Berendsen","year":"1984","unstructured":"Berendsen, H.J.C., Postma, J.P.M., van, Gunsteren, W.F., DiNola, A. and Haak, J.R., J. Chem. Phys., 81 (1984) 3684.","journal-title":"J. Chem. Phys."},{"key":"CR23","volume-title":"Groningen Molecular Simulation (GROMOS) Library Manual","author":"W.F. Gunsteren van","year":"1987","unstructured":"van, Gunsteren, W.F. and Berendsen, H.J.C., Groningen Molecular Simulation (GROMOS) Library Manual, Biomos, Groningen, 1987."},{"key":"CR24","doi-asserted-by":"crossref","first-page":"461","DOI":"10.1016\/0022-2836(85)90014-2","volume":"183","author":"J. \u00c5qvist","year":"1985","unstructured":"\u00c5qvist, J., van, Gunsteren, W.F., Leijonmarck, M. and Tapia, O., J. Mol. Biol., 183 (1985) 461.","journal-title":"J. Mol. Biol."},{"key":"CR25","first-page":"5","volume-title":"Molecular Dynamics and Protein Structures","author":"W.F. Gunsteren van","year":"1985","unstructured":"van, Gunsteren, W.F. and Berendsen, H.J.C., In Hermans, J. (Ed.) Molecular Dynamics and Protein Structures, Polycrystal Books Service, Western Springs, IL., 1985, pp. 5?14."},{"key":"CR26","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"J.P. Ryckaert","year":"1977","unstructured":"Ryckaert, J.P., Ciccotti, G.H. and Berendsen, H.J.C., J. Comput. Phys., 23 (1977) 327.","journal-title":"J. Comput. Phys."},{"key":"CR27","doi-asserted-by":"crossref","first-page":"1311","DOI":"10.1080\/00268977700102571","volume":"34","author":"W.F. Gunsteren van","year":"1977","unstructured":"van, Gunsteren, W.F. and Berendsen, H.J.C., Mol. Phys., 34 (1977) 1311.","journal-title":"Mol. Phys."},{"key":"CR28","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1002\/hlca.19850680319","volume":"68","author":"H.R. Loosli","year":"1985","unstructured":"Loosli, H.R., Kessler, H., Oschkinat, H., Weber, H.P., Petcher, T.J. and Widmer, A., Helv. Chim. Acta, 68 (1985) 682.","journal-title":"Helv. Chim. Acta"},{"key":"CR29","first-page":"264","volume":"482","author":"H.J.C. Berendsen","year":"1986","unstructured":"Berendsen, H.J.C., van, Gunsteren, W.F., Zwinderman, H.R. and Geurtsen, R.G., Ann. N.Y. Acad. Sci., 482 (1986) 264.","journal-title":"Ann. N.Y. Acad. Sci."},{"key":"CR30","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1016\/0009-2614(89)87249-5","volume":"157","author":"A.E. Torda","year":"1989","unstructured":"Torda, A.E., Scheek, R.M. and van, Gunsteren, W.F., Chem. Phys. Lett., 157 (1989) 289.","journal-title":"Chem. Phys. Lett."},{"key":"CR31","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1016\/0022-2836(90)90157-H","volume":"214","author":"A.E. Torda","year":"1990","unstructured":"Torda, A.E., Scheek, R.M. and van, Gunsteren, W.F., J. Mol. Biol., 214 (1990) 223.","journal-title":"J. Mol. Biol."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00129422.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/BF00129422\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00129422","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,4,3]],"date-time":"2019-04-03T00:51:17Z","timestamp":1554252677000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/BF00129422"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1992,4]]},"references-count":31,"journal-issue":{"issue":"2","published-print":{"date-parts":[[1992,4]]}},"alternative-id":["BF00129422"],"URL":"https:\/\/doi.org\/10.1007\/bf00129422","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[1992,4]]}}}