{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,21]],"date-time":"2025-12-21T04:18:21Z","timestamp":1766290701949,"version":"3.37.3"},"reference-count":93,"publisher":"American Chemical Society (ACS)","issue":"8","license":[{"start":{"date-parts":[[2016,7,30]],"date-time":"2016-07-30T00:00:00Z","timestamp":1469836800000},"content-version":"vor","delay-in-days":358,"URL":"http:\/\/pubs.acs.org\/page\/policy\/authorchoice_termsofuse.html"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R01GM073943","R01GM079223"],"award-info":[{"award-number":["R01GM073943","R01GM079223"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2015,8,24]]},"DOI":"10.1021\/acs.jcim.5b00103","type":"journal-article","created":{"date-parts":[[2015,7,30]],"date-time":"2015-07-30T21:06:55Z","timestamp":1438290415000},"page":"1585-1599","source":"Crossref","is-referenced-by-count":63,"title":["AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein\u2013Protein Interaction Interfaces"],"prefix":"10.1021","volume":"55","author":[{"given":"David","family":"Rooklin","sequence":"first","affiliation":[{"name":"Department\rof Chemistry, New York University, New York, New York 10003, United States"}]},{"given":"Cheng","family":"Wang","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, New York University, New York, New York 10003, United States"}]},{"given":"Joseph","family":"Katigbak","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, New York University, New York, New York 10003, United States"}]},{"given":"Paramjit S.","family":"Arora","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, New York University, New York, New York 10003, United States"}]},{"given":"Yingkai","family":"Zhang","sequence":"additional","affiliation":[{"name":"Department\rof Chemistry, New York University, New York, New York 10003, United States"},{"name":"NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China"}]}],"member":"316","published-online":{"date-parts":[[2015,8,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2005.03.001"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nrc3690"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1402393111"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1523\/JNEUROSCI.3593-12.2013"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/npp.2008.151"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1111\/j.1582-4934.2011.01319.x"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ja034247i"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1022","DOI":"10.1126\/science.1116304","volume":"310","author":"He M. M.","year":"2005","journal-title":"Science"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0700781104"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2007.01.036"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2006.07.050"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/S1074-5521(00)00106-X"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-0290(199824)61:1<61::AID-BIT11>3.0.CO;2-C"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio0306-112"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio0705-74"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.chembiol.2014.09.001"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.1568"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/cr400698c"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.217"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/jm8000373"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1126\/science.274.5292.1531"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/jm049967u"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1038\/nature06526"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/nrd3680"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2008.10.009"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/jm4001105"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/jm401753e"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1998.1843"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1126\/stke.2192004pl2"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks336"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/prot.21396"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2012.11.023"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2014.09.047"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkg512"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1996.0077"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-10-168"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(95)00073-9"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008124202956"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btp599"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkp281"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bti315"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ci800324m"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1074\/mcp.M400159-MCP200"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(92)80074-N"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/S1093-3263(98)00002-3"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1186\/1472-6807-6-19"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1186\/1752-153X-1-7"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0028766"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2010.10.007"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btr651"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/ci400750x"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki586"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0010109"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/ci1000289"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.2174\/138920306778559386"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btp036"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1101835108"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ci300175u"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ci200468p"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/ci100241y"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ci200454v"},{"key":"ref62\/cit62","unstructured":"Molecular Operating Environment (MOE), 2013.08;Chemical Computing Group, Inc.:Montreal, QC, Canada, 2014."},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1126\/science.1092472"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/jm501092z"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1126\/science.275.5302.983"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1038\/35055085"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560070905"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0009598"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks1002"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2004.03.010"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2836(74)90570-1"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1145\/235815.235821"},{"key":"ref73\/cit73","unstructured":"Jones, E.; Oliphant, T.; Peterson, P.SciPy: Open Source Scientific Tools for Python."},{"volume-title":"NACCESS, Computer Program, Department of Biochemistry and Molecular Biology","year":"1993","author":"Hubbard S. J.","key":"ref74\/cit74"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1273"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/jm070095g"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0401942101"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkq502"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1501567112"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1038\/nrd4236"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.03.005"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/jm300354j"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201000329"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/jm3005465"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1126\/science.274.5289.948"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2005.05.010"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1126\/science.7973629"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/ci300175u"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1038\/256705a0"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbiotec.2011.12.005"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1098\/rsif.2012.0835"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu104"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5b00103","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T13:23:29Z","timestamp":1681565009000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5b00103"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,8,7]]},"references-count":93,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2015,8,24]]}},"alternative-id":["10.1021\/acs.jcim.5b00103"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5b00103","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2015,8,7]]}}}