{"id":"https://openalex.org/W4312067484","doi":"https://doi.org/10.1021/acs.jcim.2c00946","title":"Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease","display_name":"Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease","publication_year":2022,"publication_date":"2022-12-20","ids":{"openalex":"https://openalex.org/W4312067484","doi":"https://doi.org/10.1021/acs.jcim.2c00946","pmid":"https://pubmed.ncbi.nlm.nih.gov/36539353"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00946","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00946","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/A5060225962","display_name":"Kei Moritsugu","orcid":"https://orcid.org/0000-0002-2470-0859"},"institutions":[{"id":"https://openalex.org/I89630735","display_name":"Yokohama City University","ror":"https://ror.org/0135d1r83","country_code":"JP","type":"education","lineage":["https://openalex.org/I89630735"]},{"id":"https://openalex.org/I4387152983","display_name":"Osaka Metropolitan University","ror":"https://ror.org/01hvx5h04","country_code":null,"type":"education","lineage":["https://openalex.org/I4387152983"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Kei Moritsugu","raw_affiliation_strings":["Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan","Graduate School of Science, Osaka Metropolitan University, 1-2 Gakuencho,\rNaka-ku, Sakai, Osaka599-8570, Japan","Graduate School of Science, Osaka Metropolitan University, 1-2 Gakuencho, Naka-ku, Sakai, Osaka599-8570, Japan"],"affiliations":[{"raw_affiliation_string":"Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan","institution_ids":["https://openalex.org/I89630735"]},{"raw_affiliation_string":"Graduate School of Science, Osaka Metropolitan University, 1-2 Gakuencho,\rNaka-ku, Sakai, Osaka599-8570, Japan","institution_ids":["https://openalex.org/I4387152983"]},{"raw_affiliation_string":"Graduate School of Science, Osaka Metropolitan University, 1-2 Gakuencho, Naka-ku, Sakai, Osaka599-8570, Japan","institution_ids":["https://openalex.org/I4387152983"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067499258","display_name":"Toru Ekimoto","orcid":"https://orcid.org/0000-0001-7186-0292"},"institutions":[{"id":"https://openalex.org/I89630735","display_name":"Yokohama City University","ror":"https://ror.org/0135d1r83","country_code":"JP","type":"education","lineage":["https://openalex.org/I89630735"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Toru Ekimoto","raw_affiliation_strings":["Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan"],"affiliations":[{"raw_affiliation_string":"Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan","institution_ids":["https://openalex.org/I89630735"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069786759","display_name":"Mitsunori Ikeguchi","orcid":"https://orcid.org/0000-0003-3199-6931"},"institutions":[{"id":"https://openalex.org/I89630735","display_name":"Yokohama City University","ror":"https://ror.org/0135d1r83","country_code":"JP","type":"education","lineage":["https://openalex.org/I89630735"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Mitsunori Ikeguchi","raw_affiliation_strings":["Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan"],"affiliations":[{"raw_affiliation_string":"Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan","institution_ids":["https://openalex.org/I89630735"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5021942420","display_name":"Akinori Kidera","orcid":"https://orcid.org/0000-0002-3085-9540"},"institutions":[{"id":"https://openalex.org/I89630735","display_name":"Yokohama City University","ror":"https://ror.org/0135d1r83","country_code":"JP","type":"education","lineage":["https://openalex.org/I89630735"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Akinori Kidera","raw_affiliation_strings":["Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan"],"affiliations":[{"raw_affiliation_string":"Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehirocho, Tsurumi, Yokohama, Kanagawa230-0045, Japan","institution_ids":["https://openalex.org/I89630735"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5060225962"],"corresponding_institution_ids":["https://openalex.org/I4387152983","https://openalex.org/I89630735"],"apc_list":null,"apc_paid":null,"fwci":0.6862,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.67480332,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"63","issue":"1","first_page":"240","last_page":"250"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9994999766349792,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9994999766349792,"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":0.9987000226974487,"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/peptide","display_name":"Peptide","score":0.7363443374633789},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6104933619499207},{"id":"https://openalex.org/keywords/oxyanion-hole","display_name":"Oxyanion hole","score":0.597949743270874},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5825870633125305},{"id":"https://openalex.org/keywords/protease","display_name":"Protease","score":0.48631104826927185},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.4610857367515564},{"id":"https://openalex.org/keywords/peptide-sequence","display_name":"Peptide sequence","score":0.41453611850738525},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3785558044910431},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3611339330673218},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.35418522357940674},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.3048703074455261},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2555255889892578},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.18535029888153076},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18124449253082275},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.1027536392211914},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.08398973941802979},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.07433009147644043}],"concepts":[{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.7363443374633789},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6104933619499207},{"id":"https://openalex.org/C179506582","wikidata":"https://www.wikidata.org/wiki/Q7115108","display_name":"Oxyanion hole","level":4,"score":0.597949743270874},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5825870633125305},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.48631104826927185},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.4610857367515564},{"id":"https://openalex.org/C167625842","wikidata":"https://www.wikidata.org/wiki/Q899763","display_name":"Peptide sequence","level":3,"score":0.41453611850738525},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3785558044910431},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3611339330673218},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.35418522357940674},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.3048703074455261},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2555255889892578},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.18535029888153076},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18124449253082275},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1027536392211914},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.08398973941802979},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.07433009147644043},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","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":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"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":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.2c00946","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00946","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:36539353","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36539353","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":[{"score":0.5699999928474426,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"awards":[{"id":"https://openalex.org/G1414640098","display_name":null,"funder_award_id":"20K03883","funder_id":"https://openalex.org/F4320320912","funder_display_name":"Ministry of Education, Culture, Sports, Science and Technology"},{"id":"https://openalex.org/G4069044848","display_name":null,"funder_award_id":"190636","funder_id":"https://openalex.org/F4320310657","funder_display_name":"Sumitomo Foundation"},{"id":"https://openalex.org/G4883608640","display_name":null,"funder_award_id":"JP22ama121023","funder_id":"https://openalex.org/F4320311405","funder_display_name":"Japan Agency for Medical Research and Development"},{"id":"https://openalex.org/G969859058","display_name":null,"funder_award_id":"JP21am0101109","funder_id":"https://openalex.org/F4320311405","funder_display_name":"Japan Agency for Medical Research and Development"}],"funders":[{"id":"https://openalex.org/F4320310657","display_name":"Sumitomo Foundation","ror":"https://ror.org/01nmpj461"},{"id":"https://openalex.org/F4320311405","display_name":"Japan Agency for Medical Research and Development","ror":"https://ror.org/004rtk039"},{"id":"https://openalex.org/F4320320912","display_name":"Ministry of Education, Culture, Sports, Science and Technology","ror":"https://ror.org/048rj2z13"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":50,"referenced_works":["https://openalex.org/W1595347157","https://openalex.org/W1598141219","https://openalex.org/W1976499671","https://openalex.org/W1985469117","https://openalex.org/W2001398410","https://openalex.org/W2014189709","https://openalex.org/W2016408686","https://openalex.org/W2024263199","https://openalex.org/W2034299708","https://openalex.org/W2045440995","https://openalex.org/W2056012861","https://openalex.org/W2060387286","https://openalex.org/W2067174909","https://openalex.org/W2080981619","https://openalex.org/W2093702542","https://openalex.org/W2105641709","https://openalex.org/W2106140689","https://openalex.org/W2118233996","https://openalex.org/W2207535250","https://openalex.org/W2341297027","https://openalex.org/W2404280981","https://openalex.org/W2508767729","https://openalex.org/W2516527635","https://openalex.org/W2556565974","https://openalex.org/W2764032733","https://openalex.org/W2769449671","https://openalex.org/W2789940437","https://openalex.org/W2898094195","https://openalex.org/W2949259750","https://openalex.org/W2991598318","https://openalex.org/W3008279928","https://openalex.org/W3016343496","https://openalex.org/W3034198796","https://openalex.org/W3040116040","https://openalex.org/W3042410351","https://openalex.org/W3093152392","https://openalex.org/W3101481283","https://openalex.org/W3113166651","https://openalex.org/W3155545561","https://openalex.org/W3159045169","https://openalex.org/W3175541994","https://openalex.org/W3177976091","https://openalex.org/W3189646261","https://openalex.org/W3195692794","https://openalex.org/W3207013210","https://openalex.org/W3208456175","https://openalex.org/W4205526373","https://openalex.org/W4223936486","https://openalex.org/W4226016556","https://openalex.org/W6926302077"],"related_works":["https://openalex.org/W2753818430","https://openalex.org/W172569458","https://openalex.org/W1963907668","https://openalex.org/W4389491135","https://openalex.org/W1979282744","https://openalex.org/W4245551204","https://openalex.org/W2379938146","https://openalex.org/W4390367031","https://openalex.org/W314815708","https://openalex.org/W2348165367"],"abstract_inverted_index":{"Based":[0],"on":[1,89],"many":[2],"crystal":[3],"structures":[4],"of":[5,18,43,45,68,104,114],"ligand":[6],"complexes,":[7],"much":[8],"study":[9],"has":[10],"been":[11],"devoted":[12],"to":[13,32,136],"understanding":[14],"the":[15,40,54,58,66,76,80,83,87,90,102,105,115,119,124,137,143],"molecular":[16],"recognition":[17,145],"SARS-CoV-2":[19],"3C-like":[20],"protease":[21],"(3CL<sup>pro</sup>),":[22],"a":[23,70,94,110],"potent":[24],"drug":[25],"target":[26],"for":[27],"COVID-19.":[28],"In":[29],"this":[30,34],"research,":[31],"extend":[33],"present":[35],"static":[36],"view,":[37],"we":[38],"examined":[39],"kinetic":[41],"process":[42],"binding/unbinding":[44],"an":[46],"eight-residue":[47],"substrate":[48],"peptide":[49,73],"to/from":[50],"3CL<sup>pro</sup>":[51],"by":[52,134,142],"evaluating":[53],"path":[55,63],"ensemble":[56,60,64],"with":[57],"weighted":[59],"simulation.":[61],"The":[62],"showed":[65],"mechanism":[67],"how":[69],"highly":[71],"flexible":[72],"folded":[74],"into":[75,101],"bound":[77],"form.":[78],"At":[79],"early":[81],"stage,":[82],"dominant":[84],"motion":[85],"was":[86,99],"diffusion":[88],"protein":[91],"surface":[92],"showing":[93],"broad":[95],"distribution,":[96],"whose":[97],"center":[98],"led":[100],"cleft":[103],"chymotrypsin":[106],"fold.":[107],"We":[108],"observed":[109],"definite":[111],"sequential":[112],"formation":[113],"hydrogen":[116],"bonds":[117],"at":[118,146],"later":[120],"stage":[121],"occurring":[122],"in":[123],"cleft,":[125],"initiated":[126],"between":[127],"Glu166":[128],"(3CL<sup>pro</sup>)":[129],"and":[130,140],"P3_Val":[131],"(peptide),":[132],"followed":[133],"binding":[135],"oxyanion":[138],"hole":[139],"completed":[141],"sequence-specific":[144],"P1_Gln.":[147]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":3}],"updated_date":"2025-11-20T23:13:51.555489","created_date":"2025-10-10T00:00:00"}