{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,26]],"date-time":"2025-03-26T13:47:24Z","timestamp":1742996844094,"version":"3.40.3"},"publisher-location":"Cham","reference-count":36,"publisher":"Springer International Publishing","isbn-type":[{"type":"print","value":"9783319421100"},{"type":"electronic","value":"9783319421117"}],"license":[{"start":{"date-parts":[[2016,1,1]],"date-time":"2016-01-01T00:00:00Z","timestamp":1451606400000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2016]]},"DOI":"10.1007\/978-3-319-42111-7_1","type":"book-chapter","created":{"date-parts":[[2016,7,1]],"date-time":"2016-07-01T06:04:05Z","timestamp":1467353045000},"page":"1-10","source":"Crossref","is-referenced-by-count":0,"title":["Protein Ligand Docking Using Simulated Jumping"],"prefix":"10.1007","author":[{"given":"Sally Chen Woon","family":"Peh","sequence":"first","affiliation":[]},{"given":"Jer Lang","family":"Hong","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2016,7,1]]},"reference":[{"key":"1_CR1","doi-asserted-by":"crossref","unstructured":"Ewing, T.J.A., Kuntz, I.D.: J. Comput. Chem. 18, 1175 (1997)","DOI":"10.1002\/(SICI)1096-987X(19970715)18:9<1175::AID-JCC6>3.0.CO;2-O"},{"key":"1_CR2","doi-asserted-by":"publisher","first-page":"23","DOI":"10.1038\/384023a0","volume":"384","author":"TL Blundell","year":"1996","unstructured":"Blundell, T.L.: Structure-based drug design. Nature 384, 23\u201326 (1996). doi: 10.1038\/384023a0","journal-title":"Nature"},{"key":"1_CR3","doi-asserted-by":"publisher","first-page":"1078","DOI":"10.1126\/science.257.5073.1078","volume":"257","author":"ID Kuntz","year":"1992","unstructured":"Kuntz, I.D.: Structure-based strategies for drug design and discovery. Science 257, 1078\u20131082 (1992). doi: 10.1126\/science.257.5073.1078","journal-title":"Science"},{"key":"1_CR4","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1006\/jmbi.1996.0897","volume":"207","author":"G Jones","year":"1997","unstructured":"Jones, G., Willette, P., Glen, R.C., Leach, A.R., Taylor, R.: J. Mol. Biol. 207, 727 (1997)","journal-title":"J. Mol. Biol."},{"key":"1_CR5","doi-asserted-by":"publisher","first-page":"445","DOI":"10.1007\/s10822-005-8483-7","volume":"19","author":"JRH Tame","year":"2005","unstructured":"Tame, J.R.H.: Scoring functions\u2013the first 100 years. J. Comput. Aided Mol. Des. 19, 445\u2013451 (2005). doi: 10.1007\/s10822-005-8483-7","journal-title":"J. Comput. Aided Mol. Des."},{"key":"1_CR6","doi-asserted-by":"crossref","first-page":"2644","DOI":"10.1002\/1521-3773(20020802)41:15<2644::AID-ANIE2644>3.0.CO;2-O","volume":"41","author":"H Gohlke","year":"2002","unstructured":"Gohlke, H., Klebe, G.: Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors. Angew Chemie \u2013 Int. Ed. 41, 2644\u20132676 (2002)","journal-title":"Angew Chemie \u2013 Int. Ed."},{"key":"1_CR7","doi-asserted-by":"publisher","first-page":"597","DOI":"10.1517\/17460441.2010.484460","volume":"5","author":"S Cosconati","year":"2010","unstructured":"Cosconati, S., Forli, S., Perryman, A.L., et al.: Virtual screening with AutoDock: theory and practice. Expert Opin. Drug Discov. 5, 597\u2013607 (2010). doi: 10.1517\/17460441.2010.484460","journal-title":"Expert Opin. Drug Discov."},{"key":"1_CR8","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1006\/jmbi.1996.0897","volume":"267","author":"G Jones","year":"1997","unstructured":"Jones, G., Willett, P., Glen, R.C., et al.: Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 267, 727\u2013748 (1997)","journal-title":"J. Mol. Biol."},{"key":"1_CR9","first-page":"173","volume":"191","author":"JS Taylor","year":"2000","unstructured":"Taylor, J.S., Burnett, R.M.: DARWIN: a program for docking flexible molecules 191, 173\u2013191 (2000)","journal-title":"DARWIN: a program for docking flexible molecules"},{"key":"1_CR10","doi-asserted-by":"crossref","first-page":"1210","DOI":"10.1002\/jcc.540161004","volume":"16","author":"KP Clark","year":"1995","unstructured":"Clark, K.P.: Flexible ligand docking without parameter adjustment across four ligand-receptor complexes. J. Comput. Chem. 16, 1210\u20131226 (1995)","journal-title":"J. Comput. Chem."},{"key":"1_CR11","doi-asserted-by":"publisher","first-page":"504","DOI":"10.1002\/prot.20217","volume":"57","author":"I Schellhammer","year":"2004","unstructured":"Schellhammer, I., Rarey, M.: FlexX-Scan: fast, structure-based virtual screening. Proteins Struct. Funct. Genet. 57, 504\u2013517 (2004). doi: 10.1002\/prot.20217","journal-title":"Proteins Struct. Funct. Genet."},{"key":"1_CR12","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1023\/A:1007907728892","volume":"11","author":"C Mcmartin","year":"1997","unstructured":"Mcmartin, C., Bohacek, R.S.: QXP: powerful, rapid computer algorithms for structure-based drug design. J. Comput. Aided Mol. Des. 11, 333\u2013344 (1997)","journal-title":"J. Comput. Aided Mol. Des."},{"key":"1_CR13","doi-asserted-by":"publisher","first-page":"449","DOI":"10.1016\/S1074-5521(96)90093-9","volume":"3","author":"W Welch","year":"1996","unstructured":"Welch, W., Ruppert, J., Jain, A.N.: Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites. Chem. Biol. 3, 449\u2013462 (1996). doi: 10.1016\/S1074-5521(96)90093-9","journal-title":"Chem. Biol."},{"key":"1_CR14","doi-asserted-by":"crossref","unstructured":"Chen, G.S., Chern, J.W.: Computer-aided drug design. In: Drug Discovery Research: New Frontiers in the Post-Genomic Era, pp. 89\u2013107 (2006)","DOI":"10.1002\/9780470131862.ch4"},{"key":"1_CR15","doi-asserted-by":"crossref","first-page":"579","DOI":"10.1093\/bib\/bbp023","volume":"10","author":"CM Song","year":"2009","unstructured":"Song, C.M., Lim, S.J., Tong, J.C.: Recent advances in computer-aided drug design. Brief. Bioinform. 10, 579\u2013591 (2009)","journal-title":"Brief. Bioinform."},{"key":"1_CR16","doi-asserted-by":"publisher","first-page":"649","DOI":"10.1038\/nrd1799","volume":"4","author":"G Schneider","year":"2005","unstructured":"Schneider, G., Fechner, U.: Computer-based de novo design of drug-like molecules. Nat. Rev. Drug Discovery 4, 649\u2013663 (2005). doi: 10.1038\/nrd1799","journal-title":"Nat. Rev. Drug Discovery"},{"key":"1_CR17","doi-asserted-by":"publisher","first-page":"8985","DOI":"10.1016\/S0040-4020(01)86503-0","volume":"47","author":"Y Nishibata","year":"1991","unstructured":"Nishibata, Y., Itai, A.: Automatic creation of drug candidate structures based on receptor structure. Starting point for artificial lead generation. Tetrahedron 47, 8985\u20138990 (1991). doi: 10.1016\/S0040-4020(01)86503-0","journal-title":"Tetrahedron"},{"key":"1_CR18","doi-asserted-by":"crossref","first-page":"358","DOI":"10.1111\/j.1747-0285.2012.01414.x","volume":"80","author":"S Lindert","year":"2012","unstructured":"Lindert, S., Durrant, J.D., Mccammon, J.A.: LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders. Chem. Biol. Drug Des. 80, 358\u2013365 (2012)","journal-title":"Chem. Biol. Drug Des."},{"key":"1_CR19","doi-asserted-by":"publisher","first-page":"207","DOI":"10.1021\/ci00017a027","volume":"34","author":"VJ Gillet","year":"1994","unstructured":"Gillet, V.J., Newell, W., Mata, P., et al.: SPROUT: recent developments in the de novo design of molecules. J. Chem. Inf. Comput. Sci. 34, 207\u2013217 (1994). doi: 10.1021\/ci00017a027","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"1_CR20","doi-asserted-by":"publisher","first-page":"3994","DOI":"10.1021\/jm00049a019","volume":"37","author":"B Waszkowycz","year":"1994","unstructured":"Waszkowycz, B., Clark, D.E., Frenkel, D., et al.: PRO_LIGAND: an approach to de novo molecular design. 2. Design of novel molecules from molecular field analysis (MFA) models and pharmacophores. J. Med. Chem. 37, 3994\u20134002 (1994). doi: 10.1021\/jm00049a019","journal-title":"J. Med. Chem."},{"key":"1_CR21","doi-asserted-by":"crossref","first-page":"543","DOI":"10.1016\/j.asoc.2014.09.042","volume":"27","author":"RV Devi","year":"2015","unstructured":"Devi, R.V., Sathya, S.S., Coumar, M.S.: Evolutionary algorithms for de novo drug design \u2013 A survey. Appl. Soft Comput. 27, 543\u2013552 (2015)","journal-title":"Appl. Soft Comput."},{"key":"1_CR22","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/j.asoc.2014.10.049","volume":"28","author":"E L\u00f3pez-Camacho","year":"2015","unstructured":"L\u00f3pez-Camacho, E., Garc\u00eda Godoy, M.J., Garc\u00eda-Nieto, J., et al.: Solving molecular flexible docking problems with metaheuristics: a comparative study. Appl. Soft Comput. 28, 379\u2013393 (2015)","journal-title":"Appl. Soft Comput."},{"key":"1_CR23","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1002\/jcc.10384","volume":"25","author":"M Cecchini","year":"2003","unstructured":"Cecchini, M., Kolb, P., Majeux, N., et al.: Automated docking of highly flexible ligands by genetic algorithms: a critical assessment. J. Comput. Chem. 25, 412\u2013422 (2003)","journal-title":"J. Comput. Chem."},{"key":"1_CR24","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/S0022-2836(95)80037-9","volume":"245","author":"G Jones","year":"1995","unstructured":"Jones, G., Willett, P., Glen, R.C.: Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. J. Mol. Biol. 245, 43\u201353 (1995)","journal-title":"J. Mol. Biol."},{"key":"1_CR25","doi-asserted-by":"crossref","first-page":"605","DOI":"10.1590\/S1415-47572004000400022","volume":"27","author":"CS Magalh\u00e3es de","year":"2004","unstructured":"de Magalh\u00e3es, C.S., Barbosa, H.J.C., Dardenne, L.E.: A genetic algorithm for the ligand-protein docking problem. Genet. Mol. Biol. 27, 605\u2013610 (2004)","journal-title":"Genet. Mol. Biol."},{"key":"1_CR26","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1023\/A:1006529012972","volume":"13","author":"PL Naga","year":"1999","unstructured":"Naga, P.L., Murga, R.H., Inza, I., Dizdarevic, S.: Genetic Algorithms for the Travelling Salesman Problem: a review of representations and operators. Artif. Intell. Rev. 13, 129\u2013170 (1999)","journal-title":"Artif. Intell. Rev."},{"key":"1_CR27","doi-asserted-by":"crossref","first-page":"516","DOI":"10.1016\/S0167-7799(00)89015-0","volume":"13","author":"P Willett","year":"1995","unstructured":"Willett, P.: Genetic algorithms in molecular recognition and design. Trends Biotechnol. 13, 516\u2013521 (1995)","journal-title":"Trends Biotechnol."},{"key":"1_CR28","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1214\/ss\/1177011077","volume":"8","author":"D Bertsimas","year":"1993","unstructured":"Bertsimas, D., Tsitsiklis, J.: Simulated annealing. Stat. Sci. 8, 10\u201315 (1993)","journal-title":"Stat. Sci."},{"key":"1_CR29","doi-asserted-by":"publisher","first-page":"19","DOI":"10.1109\/101.17235","volume":"5","author":"RA Rutenbar","year":"1989","unstructured":"Rutenbar, R.A.: Simulated annealing algorithms: an overview. IEEE Circuits Devices Mag. 5, 19\u201326 (1989). doi: 10.1109\/101.17235","journal-title":"IEEE Circuits Devices Mag."},{"key":"1_CR30","doi-asserted-by":"publisher","unstructured":"Glover, F., Laguna, M.: Tabu Search (1997). doi: 10.1007\/978-1-4615-6089-0","DOI":"10.1007\/978-1-4615-6089-0"},{"key":"1_CR31","doi-asserted-by":"publisher","first-page":"29","DOI":"10.1109\/3477.484436","volume":"26","author":"M Dorigo","year":"1996","unstructured":"Dorigo, M., Maniezzo, V., Colorni, A.: Ant system: optimization by a colony of cooperating agents. IEEE Trans. Syst. Man Cybern. Part B Cybern. 26, 29\u201341 (1996). doi: 10.1109\/3477.484436","journal-title":"IEEE Trans. Syst. Man Cybern. Part B Cybern."},{"key":"1_CR32","doi-asserted-by":"crossref","unstructured":"Radcliffe, N., Surry, P.: Formal memetic algorithms. In: Evolutionary Computing, pp. 1\u201316 (1994)","DOI":"10.1007\/3-540-58483-8_1"},{"key":"1_CR33","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1023\/A:1018954718550","volume":"86","author":"S Amin","year":"1999","unstructured":"Amin, S.: Simulated jumping. Ann. Oper. Res. 86, 23\u201338 (1999)","journal-title":"Ann. Oper. Res."},{"key":"1_CR34","doi-asserted-by":"publisher","unstructured":"Osman, I.H., Christofides, N.: Capacitated clustering problems by hybrid simulated annealing and tabu search. Int. Trans. Opt. Res. 1(3), 317\u2013336 (1994). doi: 10.1111\/1475-3995.d01-43 . Print Great Britain","DOI":"10.1111\/1475-3995.d01-43"},{"key":"1_CR35","doi-asserted-by":"publisher","unstructured":"Erickson, J.: NP-Hard Problems. Algorithms Course Mater, pp. 1\u201318 (2009). doi: 10.1080\/00949658208810560","DOI":"10.1080\/00949658208810560"},{"key":"1_CR36","doi-asserted-by":"publisher","unstructured":"Fernandez-Villacanas, J.L., Amin, S.: Simulated jumping in genetic algorithms for a set of test functions. In: Proceedings of Intelligent Information Systems, IIS 1997 (1997). doi: 10.1109\/IIS.1997.645223","DOI":"10.1109\/IIS.1997.645223"}],"container-title":["Lecture Notes in Computer Science","Computational Science and Its Applications -- ICCSA 2016"],"original-title":[],"link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-319-42111-7_1","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,9,10]],"date-time":"2019-09-10T10:24:53Z","timestamp":1568111093000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/978-3-319-42111-7_1"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016]]},"ISBN":["9783319421100","9783319421117"],"references-count":36,"URL":"https:\/\/doi.org\/10.1007\/978-3-319-42111-7_1","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2016]]}}}