{"id":"https://openalex.org/W3098229320","doi":"https://doi.org/10.1145/3388440.3412487","title":"GANDALF","display_name":"GANDALF","publication_year":2020,"publication_date":"2020-09-21","ids":{"openalex":"https://openalex.org/W3098229320","doi":"https://doi.org/10.1145/3388440.3412487","mag":"3098229320"},"language":"en","primary_location":{"id":"doi:10.1145/3388440.3412487","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3388440.3412487","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 11th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5036129205","display_name":"Allison M. Rossetto","orcid":null},"institutions":[{"id":"https://openalex.org/I133738476","display_name":"University of Massachusetts Lowell","ror":"https://ror.org/03hamhx47","country_code":"US","type":"education","lineage":["https://openalex.org/I133738476"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Allison Rossetto","raw_affiliation_strings":["University of Massachusetts Lowell, Lowell, Massachusetts"],"affiliations":[{"raw_affiliation_string":"University of Massachusetts Lowell, Lowell, Massachusetts","institution_ids":["https://openalex.org/I133738476"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5101854442","display_name":"Wenjin Zhou","orcid":"https://orcid.org/0009-0009-8416-1621"},"institutions":[{"id":"https://openalex.org/I133738476","display_name":"University of Massachusetts Lowell","ror":"https://ror.org/03hamhx47","country_code":"US","type":"education","lineage":["https://openalex.org/I133738476"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wenjin Zhou","raw_affiliation_strings":["University of Massachusetts Lowell, Lowell, Massachusetts"],"affiliations":[{"raw_affiliation_string":"University of Massachusetts Lowell, Lowell, Massachusetts","institution_ids":["https://openalex.org/I133738476"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5036129205"],"corresponding_institution_ids":["https://openalex.org/I133738476"],"apc_list":null,"apc_paid":null,"fwci":0.8443,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.79565382,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"10"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9944000244140625,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6587867140769958},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.5653566122055054},{"id":"https://openalex.org/keywords/generative-grammar","display_name":"Generative grammar","score":0.5242260098457336},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4636806845664978},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4579310715198517},{"id":"https://openalex.org/keywords/sequence","display_name":"Sequence (biology)","score":0.44782981276512146},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.378668874502182},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.34736526012420654},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.24713119864463806},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11179026961326599},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.11168327927589417}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6587867140769958},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.5653566122055054},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.5242260098457336},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4636806845664978},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4579310715198517},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.44782981276512146},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.378668874502182},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.34736526012420654},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.24713119864463806},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11179026961326599},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.11168327927589417}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3388440.3412487","is_oa":false,"landing_page_url":"https://doi.org/10.1145/3388440.3412487","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 11th ACM International Conference on Bioinformatics, Computational Biology and Health Informatics","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":20,"referenced_works":["https://openalex.org/W2073651935","https://openalex.org/W2127322768","https://openalex.org/W2136777954","https://openalex.org/W2154139219","https://openalex.org/W2170441710","https://openalex.org/W2273267066","https://openalex.org/W2510642588","https://openalex.org/W2739980134","https://openalex.org/W2781821160","https://openalex.org/W2811079561","https://openalex.org/W2892153332","https://openalex.org/W2906265131","https://openalex.org/W2963075891","https://openalex.org/W2963800363","https://openalex.org/W2963985284","https://openalex.org/W2964002510","https://openalex.org/W2964191259","https://openalex.org/W2964253184","https://openalex.org/W3098724574","https://openalex.org/W4300596359"],"related_works":["https://openalex.org/W2380075625","https://openalex.org/W4390718435","https://openalex.org/W4390549206","https://openalex.org/W3137171911","https://openalex.org/W2480711475","https://openalex.org/W2958691256","https://openalex.org/W4205708008","https://openalex.org/W2063700634","https://openalex.org/W2500981667","https://openalex.org/W2952411060"],"abstract_inverted_index":{"Computational":[0],"drug":[1,57],"design":[2,29,58],"has":[3],"the":[4,135,146,181,210,220,236,242],"potential":[5],"to":[6,82,90,129,219],"save":[7],"time":[8],"and":[9,96,125,145,187,204,206,227],"money":[10],"by":[11,160],"providing":[12],"a":[13,21,27,36,92,122,126,162,177],"better":[14],"starting":[15],"point":[16],"for":[17,31,55,197,214],"new":[18,93],"drugs":[19,186,223],"with":[20,183],"complete":[22],"computational":[23,56],"evaluation.":[24],"We":[25,132,192],"propose":[26],"peptide":[28,94,127,164,213],"system":[30],"protein":[32,124],"targets":[33,199],"based":[34,50],"on":[35],"Generative":[37],"Adversarial":[38,44],"Network":[39,45],"(GAN)":[40],"called":[41],"GANDALF":[42,85],"(Generative":[43],"Drug-tArget":[46],"Ligand":[47],"Fructifier).":[48],"GAN":[49],"methods":[51,159],"have":[52,151,193,207],"been":[53],"developed":[54],"but":[59],"these":[60],"can":[61,133],"only":[62],"generate":[63,91],"small":[64,80],"molecules,":[65],"not":[66,106],"peptides.":[67],"Peptides":[68],"are":[69,113],"very":[70],"complex":[71],"macromolecules":[72],"which":[73],"makes":[74],"them":[75],"much":[76],"more":[77],"difficult":[78],"than":[79,157],"molecules":[81],"generate.":[83],"Our":[84,153],"methodology":[86],"uses":[87],"two":[88],"networks":[89],"sequence":[95],"structure.":[97],"It":[98],"also":[99],"incorporates":[100],"data":[101],"such":[102],"as":[103,166,168,232,234],"active":[104,136],"atoms":[105,112,137],"used":[107],"in":[108,224],"other":[109],"methods.":[110],"Active":[111],"important":[114],"because":[115],"they":[116],"interact":[117],"via":[118],"electron":[119,140],"sharing":[120],"when":[121],"target":[123,216],"bind":[128],"each":[130,215],"other.":[131],"identify":[134],"using":[138,176],"our":[139,188],"structure":[141,165],"calculation":[142],"(eCADD)":[143],"program":[144],"rules":[147],"of":[148,200,229],"interaction":[149],"we":[150],"developed.":[152],"method":[154],"goes":[155],"farther":[156],"comparable":[158,218],"generating":[161],"full":[163],"well":[167,233],"predicting":[169],"binding":[170,225,231],"affinity.":[171],"The":[172],"results":[173,182],"were":[174,239],"validated":[175],"multi-step":[178],"process":[179],"comparing":[180],"FDA":[184,221,244],"approved":[185,222],"initial":[189],"prototype":[190],"method.":[191],"generated":[194,212,237],"multiple":[195],"peptides":[196,238],"three":[198],"interest":[201],"(PD-1,":[202],"PDL-1,":[203],"CTLA-4)":[205],"found":[208],"that":[209],"best":[211],"was":[217],"affinity":[226],"fitness":[228],"3D":[230],"show":[235],"unique":[240],"from":[241],"existing":[243],"drugs.":[245]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2020-11-23T00:00:00"}