{"id":"https://openalex.org/W1967605434","doi":"https://doi.org/10.1021/ci2000659","title":"A Computational Approach To Design and Evaluate Enzymatic Reaction Pathways: Application to 1-Butanol Production from Pyruvate","display_name":"A Computational Approach To Design and Evaluate Enzymatic Reaction Pathways: Application to 1-Butanol Production from Pyruvate","publication_year":2011,"publication_date":"2011-06-14","ids":{"openalex":"https://openalex.org/W1967605434","doi":"https://doi.org/10.1021/ci2000659","mag":"1967605434","pmid":"https://pubmed.ncbi.nlm.nih.gov/21671635"},"language":"en","primary_location":{"id":"doi:10.1021/ci2000659","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2000659","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":null,"license_id":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5054713111","display_name":"Di Wu","orcid":"https://orcid.org/0000-0002-8777-6578"},"institutions":[{"id":"https://openalex.org/I111979921","display_name":"Northwestern University","ror":"https://ror.org/000e0be47","country_code":"US","type":"education","lineage":["https://openalex.org/I111979921"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Di Wu","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States","institution_ids":["https://openalex.org/I111979921"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5116568333","display_name":"Qin Wang","orcid":"https://orcid.org/0009-0004-6997-0678"},"institutions":[{"id":"https://openalex.org/I103531236","display_name":"Boston College","ror":"https://ror.org/02n2fzt79","country_code":"US","type":"education","lineage":["https://openalex.org/I103531236"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Qin Wang","raw_affiliation_strings":["Department of Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States","Department of Chemistry , Boston College , Chestnut Hill , Massachusetts 02467 , United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States","institution_ids":["https://openalex.org/I103531236"]},{"raw_affiliation_string":"Department of Chemistry , Boston College , Chestnut Hill , Massachusetts 02467 , United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089808892","display_name":"Rajeev S. Assary","orcid":"https://orcid.org/0000-0002-9571-3307"},"institutions":[{"id":"https://openalex.org/I1282105669","display_name":"Argonne National Laboratory","ror":"https://ror.org/05gvnxz63","country_code":"US","type":"facility","lineage":["https://openalex.org/I1282105669","https://openalex.org/I1330989302","https://openalex.org/I39565521","https://openalex.org/I40347166"]},{"id":"https://openalex.org/I111979921","display_name":"Northwestern University","ror":"https://ror.org/000e0be47","country_code":"US","type":"education","lineage":["https://openalex.org/I111979921"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rajeev S. Assary","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States","Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States","institution_ids":["https://openalex.org/I111979921"]},{"raw_affiliation_string":"Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States","institution_ids":["https://openalex.org/I1282105669"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054861635","display_name":"Linda J. Broadbelt","orcid":"https://orcid.org/0000-0003-4253-592X"},"institutions":[{"id":"https://openalex.org/I111979921","display_name":"Northwestern University","ror":"https://ror.org/000e0be47","country_code":"US","type":"education","lineage":["https://openalex.org/I111979921"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Linda J. Broadbelt","raw_affiliation_strings":["Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, United States","institution_ids":["https://openalex.org/I111979921"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039964251","display_name":"Goran Krilov","orcid":"https://orcid.org/0009-0008-7665-5448"},"institutions":[{"id":"https://openalex.org/I203455613","display_name":"Schrodinger (United States)","ror":"https://ror.org/05a3z6914","country_code":"US","type":"company","lineage":["https://openalex.org/I203455613"]},{"id":"https://openalex.org/I103531236","display_name":"Boston College","ror":"https://ror.org/02n2fzt79","country_code":"US","type":"education","lineage":["https://openalex.org/I103531236"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Goran Krilov","raw_affiliation_strings":["Department of Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States","Schr\u00f6dinger, Inc., New York, New York 10036, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Boston College, Chestnut Hill, Massachusetts 02467, United States","institution_ids":["https://openalex.org/I103531236"]},{"raw_affiliation_string":"Schr\u00f6dinger, Inc., New York, New York 10036, United States","institution_ids":["https://openalex.org/I203455613"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5054713111"],"corresponding_institution_ids":["https://openalex.org/I111979921"],"apc_list":null,"apc_paid":null,"fwci":2.0846,"has_fulltext":false,"cited_by_count":42,"citation_normalized_percentile":{"value":0.86499952,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"51","issue":"7","first_page":"1634","last_page":"1647"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":1.0,"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/T10404","display_name":"Enzyme Catalysis and Immobilization","score":0.9979000091552734,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9954000115394592,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/butanol","display_name":"Butanol","score":0.5766506791114807},{"id":"https://openalex.org/keywords/complementarity","display_name":"Complementarity (molecular biology)","score":0.561235249042511},{"id":"https://openalex.org/keywords/metabolic-pathway","display_name":"Metabolic pathway","score":0.5200719237327576},{"id":"https://openalex.org/keywords/metabolic-network","display_name":"Metabolic network","score":0.5139691233634949},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5097722411155701},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4985320568084717},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.45568230748176575},{"id":"https://openalex.org/keywords/synthetic-biology","display_name":"Synthetic biology","score":0.41080984473228455},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.40454190969467163},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.3917815387248993},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3126472234725952},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17871835827827454},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.06979835033416748}],"concepts":[{"id":"https://openalex.org/C2777713963","wikidata":"https://www.wikidata.org/wiki/Q663902","display_name":"Butanol","level":3,"score":0.5766506791114807},{"id":"https://openalex.org/C202269582","wikidata":"https://www.wikidata.org/wiki/Q2644277","display_name":"Complementarity (molecular biology)","level":2,"score":0.561235249042511},{"id":"https://openalex.org/C192989942","wikidata":"https://www.wikidata.org/wiki/Q68685","display_name":"Metabolic pathway","level":3,"score":0.5200719237327576},{"id":"https://openalex.org/C101810790","wikidata":"https://www.wikidata.org/wiki/Q2263094","display_name":"Metabolic network","level":2,"score":0.5139691233634949},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5097722411155701},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4985320568084717},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.45568230748176575},{"id":"https://openalex.org/C191908910","wikidata":"https://www.wikidata.org/wiki/Q862838","display_name":"Synthetic biology","level":2,"score":0.41080984473228455},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.40454190969467163},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.3917815387248993},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3126472234725952},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17871835827827454},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.06979835033416748},{"id":"https://openalex.org/C2780161600","wikidata":"https://www.wikidata.org/wiki/Q153","display_name":"Ethanol","level":2,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000123","descriptor_name":"Acetyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000123","descriptor_name":"Acetyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000123","descriptor_name":"Acetyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002384","descriptor_name":"Catalysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"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":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","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":"D015394","descriptor_name":"Molecular Structure","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":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019289","descriptor_name":"Pyruvic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019289","descriptor_name":"Pyruvic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019289","descriptor_name":"Pyruvic Acid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D020001","descriptor_name":"1-Butanol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020001","descriptor_name":"1-Butanol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020001","descriptor_name":"1-Butanol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci2000659","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2000659","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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:21671635","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21671635","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}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":74,"referenced_works":["https://openalex.org/W1491256360","https://openalex.org/W1536226251","https://openalex.org/W1576708451","https://openalex.org/W1969328842","https://openalex.org/W1970910486","https://openalex.org/W1973076143","https://openalex.org/W1976266924","https://openalex.org/W1978119727","https://openalex.org/W1985588649","https://openalex.org/W1985687822","https://openalex.org/W1986240377","https://openalex.org/W1988927788","https://openalex.org/W1989773022","https://openalex.org/W1995282299","https://openalex.org/W1998328515","https://openalex.org/W2001391652","https://openalex.org/W2003567369","https://openalex.org/W2005291574","https://openalex.org/W2005640439","https://openalex.org/W2008077962","https://openalex.org/W2008836119","https://openalex.org/W2009423060","https://openalex.org/W2010677996","https://openalex.org/W2011331012","https://openalex.org/W2014187176","https://openalex.org/W2018194344","https://openalex.org/W2019610534","https://openalex.org/W2029942756","https://openalex.org/W2030555543","https://openalex.org/W2030793962","https://openalex.org/W2034961255","https://openalex.org/W2040225778","https://openalex.org/W2040595595","https://openalex.org/W2045245987","https://openalex.org/W2047684427","https://openalex.org/W2049929499","https://openalex.org/W2051709886","https://openalex.org/W2053159677","https://openalex.org/W2055204850","https://openalex.org/W2058141842","https://openalex.org/W2067204894","https://openalex.org/W2071610232","https://openalex.org/W2072280409","https://openalex.org/W2072453897","https://openalex.org/W2079675687","https://openalex.org/W2083527495","https://openalex.org/W2101217381","https://openalex.org/W2101536914","https://openalex.org/W2102377211","https://openalex.org/W2104013341","https://openalex.org/W2104619491","https://openalex.org/W2106246734","https://openalex.org/W2107409961","https://openalex.org/W2109625174","https://openalex.org/W2117741404","https://openalex.org/W2118153277","https://openalex.org/W2124809796","https://openalex.org/W2127767489","https://openalex.org/W2132468877","https://openalex.org/W2133657715","https://openalex.org/W2137608611","https://openalex.org/W2139753738","https://openalex.org/W2151999472","https://openalex.org/W2162082704","https://openalex.org/W2162220273","https://openalex.org/W2163748594","https://openalex.org/W2164630607","https://openalex.org/W2165674132","https://openalex.org/W2170427655","https://openalex.org/W2178117785","https://openalex.org/W2483878962","https://openalex.org/W4238215949","https://openalex.org/W4238991615","https://openalex.org/W4392468778"],"related_works":["https://openalex.org/W1961707331","https://openalex.org/W2063475537","https://openalex.org/W2341681417","https://openalex.org/W2012938657","https://openalex.org/W4223538309","https://openalex.org/W4309835295","https://openalex.org/W2096004952","https://openalex.org/W1578136679","https://openalex.org/W2087715585","https://openalex.org/W2147962989"],"abstract_inverted_index":{"We":[0,115],"present":[1],"a":[2,37,57,103,127],"new":[3,104],"computational":[4],"strategy":[5,53],"for":[6,15,41,126,149],"the":[7,16,25,28,122,157],"design":[8],"and":[9,20,36,44,50,80,139],"evaluation":[10,45],"of":[11,18,27,46,60,99,130,146],"novel":[12,47,68,86,174],"enzymatic":[13,48],"pathways":[14,87],"biosynthesis":[17],"fuels":[19],"chemicals.":[21],"The":[22,52],"approach":[23,119],"combines":[24],"use":[26],"Biochemical":[29],"Network":[30],"Integrated":[31],"Computational":[32],"Explorer":[33],"(BNICE)":[34],"framework":[35],"structure-based":[38,158],"screening":[39,72,105],"method":[40],"rapid":[42],"generation":[43],"reactions":[49],"pathways.":[51,70],"is":[54],"applied":[55],"to":[56,90,136,163,172],"case":[58],"study":[59],"1-butanol":[61,137],"production":[62,138],"from":[63],"pyruvate,":[64],"which":[65],"yielded":[66],"nine":[67,85],"biosynthetic":[69],"Using":[71],"criteria":[73],"based":[74,107],"on":[75,108],"pathway":[76],"length,":[77],"thermodynamic":[78],"feasibility,":[79],"metabolic":[81],"flux":[82],"analysis,":[83],"all":[84],"were":[88],"deemed":[89],"be":[91,161,169],"attractive":[92],"candidates.":[93],"To":[94],"further":[95],"assess":[96],"their":[97],"feasibility":[98],"implementation,":[100],"we":[101,154],"introduced":[102],"criterion":[106],"structural":[109],"complementarity":[110],"using":[111],"molecular":[112],"docking":[113],"methods.":[114],"show":[116,155],"that":[117,156,167],"this":[118],"correctly":[120],"reproduces":[121],"native":[123],"binding":[124],"poses":[125],"wide":[128],"range":[129],"enzymes":[131],"in":[132],"key":[133],"classes":[134],"related":[135],"provides":[140],"qualitative":[141],"agreement":[142],"with":[143],"experimental":[144],"measures":[145],"catalytic":[147],"activity":[148],"different":[150],"substrates.":[151],"In":[152],"addition,":[153],"methods":[159],"can":[160],"used":[162],"select":[164],"specific":[165],"proteins":[166],"may":[168],"promising":[170],"candidates":[171],"catalyze":[173],"reactions.":[175]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":4},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":5},{"year":2012,"cited_by_count":4}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}