{"id":"https://openalex.org/W2782718811","doi":"https://doi.org/10.1021/acs.jcim.7b00488","title":"Improved Descriptors for the Quantitative Structure\u2013Activity Relationship Modeling of Peptides and Proteins","display_name":"Improved Descriptors for the Quantitative Structure\u2013Activity Relationship Modeling of Peptides and Proteins","publication_year":2018,"publication_date":"2018-01-16","ids":{"openalex":"https://openalex.org/W2782718811","doi":"https://doi.org/10.1021/acs.jcim.7b00488","mag":"2782718811","pmid":"https://pubmed.ncbi.nlm.nih.gov/29338232"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.7b00488","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00488","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.7b00488","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5061224293","display_name":"Mark H. Barley","orcid":"https://orcid.org/0000-0002-4696-4206"},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Mark H. Barley","raw_affiliation_strings":["School of Chemistry, Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, U.K"],"raw_orcid":"https://orcid.org/0000-0002-4696-4206","affiliations":[{"raw_affiliation_string":"School of Chemistry, Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, U.K","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073735499","display_name":"Nicholas J. Turner","orcid":"https://orcid.org/0000-0002-8708-0781"},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Nicholas J. Turner","raw_affiliation_strings":["School of Chemistry, Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, U.K"],"raw_orcid":"https://orcid.org/0000-0002-8708-0781","affiliations":[{"raw_affiliation_string":"School of Chemistry, Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, U.K","institution_ids":["https://openalex.org/I28407311"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5059684811","display_name":"Royston Goodacre","orcid":"https://orcid.org/0000-0003-2230-645X"},"institutions":[{"id":"https://openalex.org/I28407311","display_name":"University of Manchester","ror":"https://ror.org/027m9bs27","country_code":"GB","type":"education","lineage":["https://openalex.org/I28407311"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Royston Goodacre","raw_affiliation_strings":["School of Chemistry, Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, U.K"],"raw_orcid":"https://orcid.org/0000-0003-2230-645X","affiliations":[{"raw_affiliation_string":"School of Chemistry, Manchester Institute of Biotechnology, University of Manchester, 131 Princess Street, Manchester, M1 7DN, U.K","institution_ids":["https://openalex.org/I28407311"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5059684811"],"corresponding_institution_ids":["https://openalex.org/I28407311"],"apc_list":null,"apc_paid":{"value":2000,"currency":"EUR","value_usd":2157},"fwci":5.1296,"has_fulltext":false,"cited_by_count":54,"citation_normalized_percentile":{"value":0.96111672,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"58","issue":"2","first_page":"234","last_page":"243"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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":0.9961000084877014,"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/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9929999709129333,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7705101370811462},{"id":"https://openalex.org/keywords/amino-acid","display_name":"Amino acid","score":0.6667356491088867},{"id":"https://openalex.org/keywords/dipeptide","display_name":"Dipeptide","score":0.6440832614898682},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5426540374755859},{"id":"https://openalex.org/keywords/molecular-descriptor","display_name":"Molecular descriptor","score":0.5263263583183289},{"id":"https://openalex.org/keywords/encode","display_name":"ENCODE","score":0.47209876775741577},{"id":"https://openalex.org/keywords/amino-acid-residue","display_name":"Amino acid residue","score":0.4435684084892273},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.39174017310142517},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3610600233078003},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.338534414768219},{"id":"https://openalex.org/keywords/peptide-sequence","display_name":"Peptide sequence","score":0.23749783635139465},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18745234608650208}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7705101370811462},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.6667356491088867},{"id":"https://openalex.org/C2779138802","wikidata":"https://www.wikidata.org/wiki/Q418602","display_name":"Dipeptide","level":3,"score":0.6440832614898682},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5426540374755859},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.5263263583183289},{"id":"https://openalex.org/C66746571","wikidata":"https://www.wikidata.org/wiki/Q1134833","display_name":"ENCODE","level":3,"score":0.47209876775741577},{"id":"https://openalex.org/C2994376932","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Amino acid residue","level":4,"score":0.4435684084892273},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.39174017310142517},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3610600233078003},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.338534414768219},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.23749783635139465},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18745234608650208},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000806","descriptor_name":"Angiotensin-Converting Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000806","descriptor_name":"Angiotensin-Converting Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000806","descriptor_name":"Angiotensin-Converting Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000806","descriptor_name":"Angiotensin-Converting Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004851","descriptor_name":"Epoxide Hydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004851","descriptor_name":"Epoxide Hydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004851","descriptor_name":"Epoxide Hydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004851","descriptor_name":"Epoxide Hydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010196","descriptor_name":"Pancreatic Elastase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.7b00488","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00488","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:29338232","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29338232","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,"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 chemical information and modeling","raw_type":null},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/9e0dbc1c-1818-4b13-a8a5-65d07619375f","is_oa":false,"landing_page_url":"https://research.manchester.ac.uk/en/publications/9e0dbc1c-1818-4b13-a8a5-65d07619375f","pdf_url":null,"source":{"id":"https://openalex.org/S4306400662","display_name":"Research Explorer (The University of Manchester)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I28407311","host_organization_name":"University of Manchester","host_organization_lineage":["https://openalex.org/I28407311"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Barley, M, Turner, N & Goodacre, R 2018, 'Improved Descriptors for the QSAR Modeling of Peptides and Proteins', Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.7b00488","raw_type":"info:eu-repo/semantics/publishedVersion"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.7b00488","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.7b00488","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G6014895610","display_name":null,"funder_award_id":"BB/K00199X/1","funder_id":"https://openalex.org/F4320307773","funder_display_name":"GlaxoSmithKline"},{"id":"https://openalex.org/G6740108216","display_name":null,"funder_award_id":"BB/K00199X/1","funder_id":"https://openalex.org/F4320334629","funder_display_name":"Biotechnology and Biological Sciences Research Council"},{"id":"https://openalex.org/G7028854394","display_name":"Rapid Evolution of Enzymes and Synthetic Micro-organisms for the Development of Industrial Biocatalysts","funder_award_id":"BB/K00199X/1","funder_id":"https://openalex.org/F4320334629","funder_display_name":"Biotechnology and Biological Sciences Research Council"},{"id":"https://openalex.org/G995922834","display_name":null,"funder_award_id":"BB/M017702/1","funder_id":"https://openalex.org/F4320334629","funder_display_name":"Biotechnology and Biological Sciences Research Council"}],"funders":[{"id":"https://openalex.org/F4320307773","display_name":"GlaxoSmithKline","ror":"https://ror.org/01xsqw823"},{"id":"https://openalex.org/F4320334629","display_name":"Biotechnology and Biological Sciences Research Council","ror":"https://ror.org/00cwqg982"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W1971769921","https://openalex.org/W2000671825","https://openalex.org/W2023306209","https://openalex.org/W2024063651","https://openalex.org/W2024213882","https://openalex.org/W2028637464","https://openalex.org/W2029820720","https://openalex.org/W2045958990","https://openalex.org/W2049066334","https://openalex.org/W2051627306","https://openalex.org/W2051708641","https://openalex.org/W2072118051","https://openalex.org/W2073565990","https://openalex.org/W2078047353","https://openalex.org/W2081536542","https://openalex.org/W2082243980","https://openalex.org/W2087661061","https://openalex.org/W2097061885","https://openalex.org/W2113623846","https://openalex.org/W2114370367","https://openalex.org/W2149240697","https://openalex.org/W2572742909","https://openalex.org/W2600424118","https://openalex.org/W2999197824"],"related_works":["https://openalex.org/W1518515965","https://openalex.org/W3159291941","https://openalex.org/W2063120953","https://openalex.org/W1978931025","https://openalex.org/W3149724803","https://openalex.org/W2753230657","https://openalex.org/W2165637039","https://openalex.org/W2026843845","https://openalex.org/W4379468083","https://openalex.org/W2155827364"],"abstract_inverted_index":{"The":[0,76,106],"ability":[1],"to":[2,37,57,93,98],"model":[3,38],"the":[4,17,39,46,80,88,96,99,102,124],"activity":[5,40,126],"of":[6,42,45,71,101,108,131,138],"a":[7,69],"protein":[8],"using":[9,83],"quantitative":[10],"structure-activity":[11],"relationships":[12],"(QSAR)":[13],"requires":[14],"descriptors":[15,33,55,78,113],"for":[16,123],"20":[18],"naturally":[19],"coded":[20],"amino":[21,81,103,111],"acids.":[22],"In":[23],"this":[24],"work":[25],"we":[26,34],"show":[27],"that":[28],"by":[29],"modifying":[30],"some":[31],"established":[32],"were":[35],"able":[36],"data":[41,74],"140":[43],"mutants":[44],"enzyme":[47,125],"epoxide":[48],"hydrolase":[49],"with":[50],"improved":[51],"accuracy.":[52],"These":[53],"new":[54,110],"(referred":[56],"as":[58],"physical":[59,77],"descriptors)":[60],"also":[61],"gave":[62],"very":[63],"good":[64],"results":[65],"when":[66],"tested":[67],"against":[68],"series":[70],"four":[72],"dipeptide":[73],"sets.":[75],"encode":[79],"acids":[82],"only":[84],"two":[85],"orthogonal":[86],"scales:":[87],"first":[89],"is":[90],"strongly":[91],"linked":[92],"hydrophilicity/hydrophobicity,":[94],"and":[95,118,135,140],"second,":[97],"volume":[100],"acid":[104,112],"residue.":[105],"use":[107],"these":[109],"should":[114],"result":[115],"in":[116],"simpler":[117],"more":[119],"readily":[120],"interpretable":[121],"models":[122],"(and":[127],"potentially":[128],"other":[129],"functions":[130],"interest,":[132],"e.g.,":[133],"secondary":[134],"tertiary":[136],"structure)":[137],"peptides":[139],"proteins.":[141]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":8},{"year":2018,"cited_by_count":5}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}