{"id":"https://openalex.org/W2014493585","doi":"https://doi.org/10.1007/bf00124001","title":"Computational analysis of binding affinity and neural response at the l-alanine receptor","display_name":"Computational analysis of binding affinity and neural response at the l-alanine receptor","publication_year":1995,"publication_date":"1995-10-01","ids":{"openalex":"https://openalex.org/W2014493585","doi":"https://doi.org/10.1007/bf00124001","mag":"2014493585","pmid":"https://pubmed.ncbi.nlm.nih.gov/8594161"},"language":"en","primary_location":{"id":"doi:10.1007/bf00124001","doi":"https://doi.org/10.1007/bf00124001","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124001","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"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/A5079777790","display_name":"Thomas J. Venanzi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I885970263","display_name":"College of New Rochelle","ror":"https://ror.org/04erv1b58","country_code":"US","type":"education","lineage":["https://openalex.org/I125924841","https://openalex.org/I885970263"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Thomas J. Venanzi","raw_affiliation_strings":["Department of Chemistry, College of New Rochelle, NY 10805, USA","Department of Chemistry, College of New Rochelle, New Rochelle, U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of New Rochelle, NY 10805, USA","institution_ids":["https://openalex.org/I885970263"]},{"raw_affiliation_string":"Department of Chemistry, College of New Rochelle, New Rochelle, U.S.A","institution_ids":["https://openalex.org/I885970263"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073113978","display_name":"Bruce P. Bryant","orcid":"https://orcid.org/0000-0002-9103-7751","observed_orcids":["https://orcid.org/0000-0002-9103-7751"]},"institutions":[{"id":"https://openalex.org/I2801261045","display_name":"Monell Chemical Senses Center","ror":"https://ror.org/01mdfdm06","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I2801261045"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bruce P. Bryant","raw_affiliation_strings":["Monell Chemical Senses Center, 19104, Philadelphia, PA, U.S.A","Monell Chemical Senses Center, Philadelphia, U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Monell Chemical Senses Center, 19104, Philadelphia, PA, U.S.A","institution_ids":["https://openalex.org/I2801261045"]},{"raw_affiliation_string":"Monell Chemical Senses Center, Philadelphia, U.S.A","institution_ids":["https://openalex.org/I2801261045"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084617938","display_name":"Carol A. Venanzi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I118118575","display_name":"New Jersey Institute of Technology","ror":"https://ror.org/05e74xb87","country_code":"US","type":"education","lineage":["https://openalex.org/I118118575"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Carol A. Venanzi","raw_affiliation_strings":["Department of Chemical Engineering, Chemistry and Environmental Science, New Jersey Institute of Technology, 07102, Newark, NJ, U.S.A","Department of Chemical Engineering, Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Chemistry and Environmental Science, New Jersey Institute of Technology, 07102, Newark, NJ, U.S.A","institution_ids":["https://openalex.org/I118118575"]},{"raw_affiliation_string":"Department of Chemical Engineering, Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, U.S.A","institution_ids":["https://openalex.org/I118118575"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4190,"currency":"USD","value_usd":4190},"apc_paid":null,"fwci":2.034,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.8555581,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"9","issue":"5","first_page":"439","last_page":"447"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9258000254631042,"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":0.9258000254631042,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.03590000048279762,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12770","display_name":"Amino Acid Enzymes and Metabolism","score":0.011699999682605267,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"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/binding-affinity","display_name":"binding affinity","score":0.8199999928474426},{"id":"https://openalex.org/keywords/neural-responses","display_name":"neural responses","score":0.8069999814033508},{"id":"https://openalex.org/keywords/ictalurus-punctatus","display_name":"channel catfish","score":0.7369999885559082},{"id":"https://openalex.org/keywords/hydrophobic-pocket","display_name":"hydrophobic pocket","score":0.8709999918937683},{"id":"https://openalex.org/keywords/dispersion-interactions","display_name":"dispersion interactions","score":0.9769999980926514},{"id":"https://openalex.org/keywords/active-site-conformation","display_name":"active site conformation","score":0.7310000061988831},{"id":"https://openalex.org/keywords/ligand-design","display_name":"ligand design","score":0.7239999771118164},{"id":"https://openalex.org/keywords/ligand-receptor-interactions","display_name":"ligand-receptor interactions","score":0.531000018119812}],"concepts":[{"id":"https://openalex.org/C2779856020","wikidata":"https://www.wikidata.org/wiki/Q218642","display_name":"Alanine","level":3,"score":0.6877102851867676},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5988397002220154},{"id":"https://openalex.org/C2776568683","wikidata":"https://www.wikidata.org/wiki/Q23005640","display_name":"Moiety","level":2,"score":0.5827758312225342},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.5281358361244202},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5128198266029358},{"id":"https://openalex.org/C2780227090","wikidata":"https://www.wikidata.org/wiki/Q2636892","display_name":"Alanine scanning","level":5,"score":0.4873243272304535},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4825715124607086},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4788627326488495},{"id":"https://openalex.org/C2994376932","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Amino acid residue","level":4,"score":0.4413938820362091},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.4217243790626526},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.207328200340271},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.15988418459892273},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1006285548210144},{"id":"https://openalex.org/C16318435","wikidata":"https://www.wikidata.org/wiki/Q149299","display_name":"Mutagenesis","level":4,"score":0.07715189456939697},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.06942728161811829},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000409","descriptor_name":"Alanine","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D000409","descriptor_name":"Alanine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001667","descriptor_name":"Binding, Competitive","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007059","descriptor_name":"Ictaluridae","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009435","descriptor_name":"Synaptic Transmission","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017459","descriptor_name":"Receptors, Amino Acid","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D017459","descriptor_name":"Receptors, Amino Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/bf00124001","doi":"https://doi.org/10.1007/bf00124001","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00124001","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:8594161","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/8594161","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computer-aided molecular design","raw_type":"Comparative Study"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G5307234785","display_name":null,"funder_award_id":"DC00327","funder_id":"https://openalex.org/F4320337352","funder_display_name":"National Institute on Deafness and Other Communication Disorders"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320337352","display_name":"National Institute on Deafness and Other Communication Disorders","ror":"https://ror.org/04mhx6838"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":20,"referenced_works":["https://openalex.org/W1611729581","https://openalex.org/W1966904212","https://openalex.org/W1972858720","https://openalex.org/W1983379725","https://openalex.org/W1992378478","https://openalex.org/W2008101289","https://openalex.org/W2029581677","https://openalex.org/W2037019568","https://openalex.org/W2053458045","https://openalex.org/W2057703855","https://openalex.org/W2060671473","https://openalex.org/W2066863182","https://openalex.org/W2067467091","https://openalex.org/W2074243376","https://openalex.org/W2080344181","https://openalex.org/W2082928276","https://openalex.org/W2083365344","https://openalex.org/W2083547109","https://openalex.org/W2108508060","https://openalex.org/W2326621215"],"related_works":["https://openalex.org/W2010832545","https://openalex.org/W2064086864","https://openalex.org/W2045851061","https://openalex.org/W2060392632","https://openalex.org/W2116030495","https://openalex.org/W2059971190","https://openalex.org/W2131741337","https://openalex.org/W2418577207","https://openalex.org/W7034300483","https://openalex.org/W2141752360"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}