{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,3,26]],"date-time":"2025-03-26T01:10:15Z","timestamp":1742951415883,"version":"3.40.3"},"publisher-location":"Cham","reference-count":27,"publisher":"Springer International Publishing","isbn-type":[{"type":"print","value":"9783319787220"},{"type":"electronic","value":"9783319787237"}],"license":[{"start":{"date-parts":[[2018,1,1]],"date-time":"2018-01-01T00:00:00Z","timestamp":1514764800000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2018]]},"DOI":"10.1007\/978-3-319-78723-7_33","type":"book-chapter","created":{"date-parts":[[2018,3,27]],"date-time":"2018-03-27T05:16:28Z","timestamp":1522127788000},"page":"383-394","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["An Interactive Strategy to Visualize Common Subgraphs in Protein-Ligand Interaction"],"prefix":"10.1007","author":[{"given":"Alexandre V.","family":"Fassio","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Charles A.","family":"Santana","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fabio R.","family":"Cerqueira","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carlos H.","family":"da Silveira","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jo\u00e3o P. R.","family":"Romanelli","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Raquel C.","family":"de Melo-Minardi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4723-2349","authenticated-orcid":false,"given":"Sabrina de A.","family":"Silveira","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2018,3,28]]},"reference":[{"key":"33_CR1","doi-asserted-by":"publisher","first-page":"283","DOI":"10.1016\/j.jmb.2007.01.086","volume":"368","author":"A Kahraman","year":"2007","unstructured":"Kahraman, A., Morris, R.J., Laskowski, R.A., Thornton, J.M.: Shape variation in protein binding pockets and their ligands. J. Mol. Biol. 368, 283\u2013301 (2007)","journal-title":"J. Mol. Biol."},{"issue":"7","key":"33_CR2","doi-asserted-by":"publisher","first-page":"855","DOI":"10.1093\/bioinformatics\/btt058","volume":"29","author":"DE Pires","year":"2013","unstructured":"Pires, D.E., et al.: Noise-free graph-based signatures to large-scale receptor-based ligand prediction. Bioinformatics 29(7), 855\u2013861 (2013)","journal-title":"Bioinformatics"},{"key":"33_CR3","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/bs.apcsb.2014.06.001","volume":"96","author":"JL Medina-Franco","year":"2014","unstructured":"Medina-Franco, J.L., et al.: Chapter one-the interplay between molecular modeling and chemoinformatics to characterize protein-ligand and protein-protein interactions landscapes for drug discovery. Adv. Protein Chem. Struct. Biol. 96, 1\u201337 (2014)","journal-title":"Adv. Protein Chem. Struct. Biol."},{"key":"33_CR4","doi-asserted-by":"publisher","first-page":"135","DOI":"10.1016\/j.ymeth.2014.10.019","volume":"71","author":"M Danishuddin","year":"2015","unstructured":"Danishuddin, M., Khan, A.U.: Structure based virtual screening to discover putative drug candidates: necessary considerations and successful case studies. Methods 71, 135\u2013145 (2015)","journal-title":"Methods"},{"issue":"12","key":"33_CR5","doi-asserted-by":"publisher","first-page":"i221","DOI":"10.1093\/bioinformatics\/btv256","volume":"31","author":"H Liu","year":"2015","unstructured":"Liu, H., et al.: Improving compound-protein interaction prediction by building up highly credible negative samples. Bioinformatics 31(12), i221\u2013i229 (2015)","journal-title":"Bioinformatics"},{"issue":"19","key":"33_CR6","doi-asserted-by":"publisher","first-page":"2149","DOI":"10.1093\/bioinformatics\/btn409","volume":"24","author":"L Jacob","year":"2008","unstructured":"Jacob, L., Vert, J.P.: Protein-ligand interaction prediction: an improved chemogenomics approach. Bioinformatics 24(19), 2149\u20132156 (2008)","journal-title":"Bioinformatics"},{"key":"33_CR7","doi-asserted-by":"crossref","unstructured":"Santana, C.A., et al.: GReMLIN: a graph mining strategy to infer protein-ligand interaction patterns. In: 2016 IEEE 16th International Conference on Bioinformatics and Bioengineering (BIBE), pp. 28\u201335. IEEE (2016)","DOI":"10.1109\/BIBE.2016.48"},{"key":"33_CR8","unstructured":"Data-Driven Documents - D3. https:\/\/d3js.org\/"},{"issue":"2","key":"33_CR9","doi-asserted-by":"publisher","first-page":"233","DOI":"10.1016\/j.sbi.2004.03.010","volume":"14","author":"A Poupon","year":"2004","unstructured":"Poupon, A.: Voronoi and Voronoi-related tessellations in studies of protein structure and interaction. Curr. Opin. Struct. Biol. 14(2), 233\u2013241 (2004)","journal-title":"Curr. Opin. Struct. Biol."},{"issue":"5111","key":"33_CR10","doi-asserted-by":"publisher","first-page":"1170","DOI":"10.1126\/science.260.5111.1170","volume":"260","author":"M Senechal","year":"1993","unstructured":"Senechal, M.: Spatial tessellations: concepts and applications of Voronoi diagrams. Science 260(5111), 1170\u20131173 (1993)","journal-title":"Science"},{"issue":"3","key":"33_CR11","doi-asserted-by":"publisher","first-page":"727","DOI":"10.1002\/prot.22187","volume":"74","author":"CH da Silveira","year":"2009","unstructured":"da Silveira, C.H., et al.: Protein cutoff scanning: a comparative analysis of cutoff dependent and cutoff free methods for prospecting contacts in proteins. Proteins: Struct. Funct. Bioinform. 74(3), 727\u2013743 (2009)","journal-title":"Proteins: Struct. Funct. Bioinform."},{"issue":"3","key":"33_CR12","doi-asserted-by":"publisher","first-page":"342","DOI":"10.1093\/bioinformatics\/btr680","volume":"28","author":"VM Goncalves-Almeida","year":"2011","unstructured":"Goncalves-Almeida, V.M., et al.: HydroPaCe: understanding and predicting cross-inhibition in serine proteases through hydrophobic patch centroids. Bioinformatics 28(3), 342\u2013349 (2011)","journal-title":"Bioinformatics"},{"issue":"4","key":"33_CR13","doi-asserted-by":"publisher","first-page":"327","DOI":"10.1093\/bioinformatics\/15.4.327","volume":"15","author":"V Sobolev","year":"1999","unstructured":"Sobolev, V., Sorokine, A., Prilusky, J., Abola, E.E., Edelman, M.: Automated analysis of interatomic contacts in proteins. Bioinformatics 15(4), 327\u2013332 (1999)","journal-title":"Bioinformatics"},{"issue":"13","key":"33_CR14","doi-asserted-by":"publisher","first-page":"2145","DOI":"10.1093\/bioinformatics\/bth203","volume":"20","author":"AL Mancini","year":"2004","unstructured":"Mancini, A.L., et al.: STING contacts: a web-based application for identification and analysis of amino acid contacts within protein structure and across protein interfaces. Bioinformatics 20(13), 2145\u20132147 (2004)","journal-title":"Bioinformatics"},{"key":"33_CR15","unstructured":"Silveira, S.A., et al.: Revealing protein-Ligand interaction patterns through frequent subgraph mining. In: Proceedings of the International Conference on Bioinformatics and Computational Biology, p. 50 (2015)"},{"key":"33_CR16","unstructured":"Yan, X., Han, J.: gSpan: graph-based substructure pattern mining. In: Proceedings IEEE International Conference on ICDM 2003, pp. 721\u2013724. IEEE (2002)"},{"issue":"10","key":"33_CR17","first-page":"3768","volume":"56","author":"E Schonbrunn","year":"2013","unstructured":"Schonbrunn, E., et al.: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. JMC 56(10), 3768\u20133782 (2013)","journal-title":"JMC"},{"issue":"48","key":"33_CR18","doi-asserted-by":"publisher","first-page":"20276","DOI":"10.1073\/pnas.0911606106","volume":"106","author":"MC Ho","year":"2009","unstructured":"Ho, M.C., et al.: Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc. Natl. Acad. Sci. 106(48), 20276\u201320281 (2009)","journal-title":"Proc. Natl. Acad. Sci."},{"issue":"2","key":"33_CR19","doi-asserted-by":"publisher","first-page":"127","DOI":"10.1093\/protein\/8.2.127","volume":"8","author":"AC Wallace","year":"1995","unstructured":"Wallace, A.C., et al.: LIGPLOT: a program to generate schematic diagrams of protein-Ligand interactions. Protein Eng. Des. Sel. 8(2), 127\u2013134 (1995)","journal-title":"Protein Eng. Des. Sel."},{"key":"33_CR20","doi-asserted-by":"crossref","unstructured":"Anand, P., et al.: PLIC: protein-Ligand interaction clusters. Database (2014)","DOI":"10.1093\/database\/bau029"},{"issue":"D1","key":"33_CR21","doi-asserted-by":"publisher","first-page":"D292","DOI":"10.1093\/nar\/gkt940","volume":"42","author":"TA De Beer","year":"2013","unstructured":"De Beer, T.A., et al.: PDBsum additions. Nucleic Acids Res. 42(D1), D292\u2013D296 (2013)","journal-title":"Nucleic Acids Res."},{"issue":"3","key":"33_CR22","doi-asserted-by":"publisher","first-page":"395","DOI":"10.1093\/bioinformatics\/bts691","volume":"29","author":"AM Gallina","year":"2012","unstructured":"Gallina, A.M., et al.: PLI: a web-based tool for the comparison of protein-ligand interactions observed on PDB structures. Bioinformatics 29(3), 395\u2013397 (2012)","journal-title":"Bioinformatics"},{"issue":"D1","key":"33_CR23","doi-asserted-by":"publisher","first-page":"D399","DOI":"10.1093\/nar\/gku928","volume":"43","author":"J Desaphy","year":"2014","unstructured":"Desaphy, J., Bret, G., Rognan, D., Kellenberger, E.: sc-PDB: a 3D-database of ligandable binding sites\u201310 years on. Nucleic Acids Res. 43(D1), D399\u2013D404 (2014)","journal-title":"Nucleic Acids Res."},{"issue":"9","key":"33_CR24","doi-asserted-by":"publisher","first-page":"540","DOI":"10.1021\/ml100164p","volume":"1","author":"K Stierand","year":"2010","unstructured":"Stierand, K., Rarey, M.: Drawing the PDB: protein- Ligand complexes in two dimensions. ACS Med. Chem. Lett. 1(9), 540\u2013545 (2010)","journal-title":"ACS Med. Chem. Lett."},{"issue":"5","key":"33_CR25","doi-asserted-by":"publisher","first-page":"1933","DOI":"10.1021\/ci7001473","volume":"47","author":"AM Clark","year":"2007","unstructured":"Clark, A.M., Labute, P.: 2D depiction of protein- Ligand complexes. J. Chem. Inf. Model. 47(5), 1933\u20131944 (2007)","journal-title":"J. Chem. Inf. Model."},{"key":"33_CR26","doi-asserted-by":"crossref","unstructured":"Laskowski, R.A., Swindells, M.B.: LigPlot+: multiple Ligand-protein interaction diagrams for drug discovery (2011)","DOI":"10.1021\/ci200227u"},{"issue":"7","key":"33_CR27","doi-asserted-by":"publisher","first-page":"1147","DOI":"10.1093\/bioinformatics\/btu784","volume":"31","author":"JC Fuller","year":"2014","unstructured":"Fuller, J.C., Martinez, M., Henrich, S., Stank, A., Richter, S., Wade, R.C.: LigDig: a web server for querying Ligand-protein interactions. Bioinformatics 31(7), 1147\u20131149 (2014)","journal-title":"Bioinformatics"}],"container-title":["Lecture Notes in Computer Science","Bioinformatics and Biomedical Engineering"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/978-3-319-78723-7_33","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,3,7]],"date-time":"2024-03-07T15:18:29Z","timestamp":1709824709000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/978-3-319-78723-7_33"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018]]},"ISBN":["9783319787220","9783319787237"],"references-count":27,"URL":"https:\/\/doi.org\/10.1007\/978-3-319-78723-7_33","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2018]]},"assertion":[{"value":"28 March 2018","order":1,"name":"first_online","label":"First Online","group":{"name":"ChapterHistory","label":"Chapter History"}},{"value":"IWBBIO","order":1,"name":"conference_acronym","label":"Conference Acronym","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"International Conference on Bioinformatics and Biomedical Engineering","order":2,"name":"conference_name","label":"Conference Name","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"Granada","order":3,"name":"conference_city","label":"Conference City","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"Spain","order":4,"name":"conference_country","label":"Conference Country","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"2018","order":5,"name":"conference_year","label":"Conference Year","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"25 April 2018","order":7,"name":"conference_start_date","label":"Conference Start Date","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"27 April 2018","order":8,"name":"conference_end_date","label":"Conference End Date","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"6","order":9,"name":"conference_number","label":"Conference Number","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"iwbbio2018","order":10,"name":"conference_id","label":"Conference ID","group":{"name":"ConferenceInfo","label":"Conference Information"}},{"value":"http:\/\/iwbbio.ugr.es\/","order":11,"name":"conference_url","label":"Conference URL","group":{"name":"ConferenceInfo","label":"Conference Information"}}]}}