{"id":"https://openalex.org/W2061589069","doi":"https://doi.org/10.1021/ci9003333","title":"Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design","display_name":"Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design","publication_year":2010,"publication_date":"2010-03-05","ids":{"openalex":"https://openalex.org/W2061589069","doi":"https://doi.org/10.1021/ci9003333","mag":"2061589069"},"language":"en","primary_location":{"id":"doi:10.1021/ci9003333","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci9003333","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci9003333","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":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","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"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/ci9003333","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100439355","display_name":"Xiaohua Zhang","orcid":"https://orcid.org/0000-0003-0102-6352"},"institutions":[{"id":"https://openalex.org/I1330063522","display_name":"Johnson & Johnson (United States)","ror":"https://ror.org/03qd7mz70","country_code":"US","type":"company","lineage":["https://openalex.org/I1330063522"]},{"id":"https://openalex.org/I4210112500","display_name":"QuantumBio (United States)","ror":"https://ror.org/01v8tdd80","country_code":"US","type":"company","lineage":["https://openalex.org/I4210112500"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Xiaohua Zhang","raw_affiliation_strings":["QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477","QuantumBio Inc, 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, LLC, Welsh and McKean Roads, PO Box 776, Spring House, Pennsylvania 19477, USA"],"affiliations":[{"raw_affiliation_string":"QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477","institution_ids":["https://openalex.org/I1330063522","https://openalex.org/I4210112500"]},{"raw_affiliation_string":"QuantumBio Inc, 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, LLC, Welsh and McKean Roads, PO Box 776, Spring House, Pennsylvania 19477, USA","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057213428","display_name":"Alan C. Gibbs","orcid":"https://orcid.org/0000-0002-4305-6755"},"institutions":[{"id":"https://openalex.org/I4210112500","display_name":"QuantumBio (United States)","ror":"https://ror.org/01v8tdd80","country_code":"US","type":"company","lineage":["https://openalex.org/I4210112500"]},{"id":"https://openalex.org/I1330063522","display_name":"Johnson & Johnson (United States)","ror":"https://ror.org/03qd7mz70","country_code":"US","type":"company","lineage":["https://openalex.org/I1330063522"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alan C. Gibbs","raw_affiliation_strings":["QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477"],"affiliations":[{"raw_affiliation_string":"QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477","institution_ids":["https://openalex.org/I1330063522","https://openalex.org/I4210112500"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080408896","display_name":"Charles H. Reynolds","orcid":"https://orcid.org/0000-0001-9116-2678"},"institutions":[{"id":"https://openalex.org/I1330063522","display_name":"Johnson & Johnson (United States)","ror":"https://ror.org/03qd7mz70","country_code":"US","type":"company","lineage":["https://openalex.org/I1330063522"]},{"id":"https://openalex.org/I4210112500","display_name":"QuantumBio (United States)","ror":"https://ror.org/01v8tdd80","country_code":"US","type":"company","lineage":["https://openalex.org/I4210112500"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Charles H. Reynolds","raw_affiliation_strings":["QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477"],"affiliations":[{"raw_affiliation_string":"QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477","institution_ids":["https://openalex.org/I1330063522","https://openalex.org/I4210112500"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047378081","display_name":"Martin Peters","orcid":null},"institutions":[{"id":"https://openalex.org/I1330063522","display_name":"Johnson & Johnson (United States)","ror":"https://ror.org/03qd7mz70","country_code":"US","type":"company","lineage":["https://openalex.org/I1330063522"]},{"id":"https://openalex.org/I4210112500","display_name":"QuantumBio (United States)","ror":"https://ror.org/01v8tdd80","country_code":"US","type":"company","lineage":["https://openalex.org/I4210112500"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Martin B. Peters","raw_affiliation_strings":["QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477"],"affiliations":[{"raw_affiliation_string":"QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477","institution_ids":["https://openalex.org/I1330063522","https://openalex.org/I4210112500"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075555524","display_name":"Lance M. Westerhoff","orcid":"https://orcid.org/0000-0001-8092-6919"},"institutions":[{"id":"https://openalex.org/I1330063522","display_name":"Johnson & Johnson (United States)","ror":"https://ror.org/03qd7mz70","country_code":"US","type":"company","lineage":["https://openalex.org/I1330063522"]},{"id":"https://openalex.org/I4210112500","display_name":"QuantumBio (United States)","ror":"https://ror.org/01v8tdd80","country_code":"US","type":"company","lineage":["https://openalex.org/I4210112500"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Lance M. Westerhoff","raw_affiliation_strings":["QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477"],"affiliations":[{"raw_affiliation_string":"QuantumBio Inc., 200 Innovation Boulevard, State College, Pennsylvania 16803 and Johnson & Johnson Pharmaceutical Research and Development, L.L.C., Welsh and McKean Roads, P.O. Box 776, Spring House, Pennsylvania 19477","institution_ids":["https://openalex.org/I1330063522","https://openalex.org/I4210112500"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5100439355"],"corresponding_institution_ids":["https://openalex.org/I1330063522","https://openalex.org/I4210112500"],"apc_list":null,"apc_paid":null,"fwci":1.7082,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.84249233,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":"50","issue":"4","first_page":"651","last_page":"661"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980999827384949,"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":0.9980999827384949,"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/T12412","display_name":"Enzyme function and inhibition","score":0.9970999956130981,"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/T10274","display_name":"Synthesis and biological activity","score":0.9955999851226807,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pairwise-comparison","display_name":"Pairwise comparison","score":0.5841147899627686},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.5759919285774231},{"id":"https://openalex.org/keywords/quantum","display_name":"Quantum","score":0.5490142703056335},{"id":"https://openalex.org/keywords/decomposition","display_name":"Decomposition","score":0.5438308715820312},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.4786447286605835},{"id":"https://openalex.org/keywords/quantum-chemical","display_name":"Quantum chemical","score":0.4743158519268036},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.43165484070777893},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.39317500591278076},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.336029052734375},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.25273582339286804},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.21995913982391357},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.21927544474601746},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21571433544158936},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2153339684009552},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.19894450902938843},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.08704951405525208},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.08190074563026428}],"concepts":[{"id":"https://openalex.org/C184898388","wikidata":"https://www.wikidata.org/wiki/Q1435712","display_name":"Pairwise comparison","level":2,"score":0.5841147899627686},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5759919285774231},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.5490142703056335},{"id":"https://openalex.org/C124681953","wikidata":"https://www.wikidata.org/wiki/Q339062","display_name":"Decomposition","level":2,"score":0.5438308715820312},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.4786447286605835},{"id":"https://openalex.org/C2991951333","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemical","level":3,"score":0.4743158519268036},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.43165484070777893},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.39317500591278076},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.336029052734375},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.25273582339286804},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.21995913982391357},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.21927544474601746},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21571433544158936},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2153339684009552},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.19894450902938843},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.08704951405525208},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.08190074563026428},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1021/ci9003333","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci9003333","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci9003333","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":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.354.2072","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.354.2072","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"ftp://ftp.ncbi.nlm.nih.gov/pub/pmc/fa/04/J_Chem_Inf_Model_2010_Apr_26_50(4)_651-661.tar.gz","raw_type":"text"},{"id":"pmh:oai:pubmedcentral.nih.gov:2860457","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2860457","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/ci9003333","is_oa":true,"landing_page_url":"https://doi.org/10.1021/ci9003333","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/ci9003333","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":"publisher-specific-oa","license_id":"https://openalex.org/licenses/publisher-specific-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Reduced inequalities","score":0.5199999809265137,"id":"https://metadata.un.org/sdg/10"},{"display_name":"Peace, Justice and strong institutions","score":0.5,"id":"https://metadata.un.org/sdg/16"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320309030","display_name":"Small Business Innovation Research","ror":"https://ror.org/015t55b95"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2061589069.pdf","grobid_xml":"https://content.openalex.org/works/W2061589069.grobid-xml"},"referenced_works_count":42,"referenced_works":["https://openalex.org/W1601764488","https://openalex.org/W1625910593","https://openalex.org/W1983045086","https://openalex.org/W1985588649","https://openalex.org/W1986814683","https://openalex.org/W1988636074","https://openalex.org/W1988771765","https://openalex.org/W1991633546","https://openalex.org/W1993248675","https://openalex.org/W1995818918","https://openalex.org/W2001703421","https://openalex.org/W2017043087","https://openalex.org/W2024868635","https://openalex.org/W2035468689","https://openalex.org/W2041767096","https://openalex.org/W2049885874","https://openalex.org/W2050456292","https://openalex.org/W2057508870","https://openalex.org/W2059917664","https://openalex.org/W2067484324","https://openalex.org/W2073503722","https://openalex.org/W2075954442","https://openalex.org/W2077973224","https://openalex.org/W2083344809","https://openalex.org/W2087883561","https://openalex.org/W2091734240","https://openalex.org/W2104757469","https://openalex.org/W2111767148","https://openalex.org/W2115339329","https://openalex.org/W2118233996","https://openalex.org/W2122199548","https://openalex.org/W2127336290","https://openalex.org/W2137015675","https://openalex.org/W2141376363","https://openalex.org/W2142788949","https://openalex.org/W2147993766","https://openalex.org/W2158384190","https://openalex.org/W2158534713","https://openalex.org/W2158863190","https://openalex.org/W2177902895","https://openalex.org/W4229632018","https://openalex.org/W6608040171"],"related_works":["https://openalex.org/W2487162673","https://openalex.org/W2942366970","https://openalex.org/W2793211469","https://openalex.org/W2949152769","https://openalex.org/W4372354731","https://openalex.org/W2562400057","https://openalex.org/W1692008701","https://openalex.org/W2597588799","https://openalex.org/W4360593462","https://openalex.org/W2194570607"],"abstract_inverted_index":{"Quantum":[0],"mechanical":[1],"semiempirical":[2],"comparative":[3],"binding":[4,106,110,156],"energy":[5,160,201],"analysis":[6,70],"calculations":[7],"have":[8,170],"been":[9,97],"carried":[10],"out":[11],"for":[12,126],"a":[13,36,80],"series":[14],"of":[15,39,71,82,132],"protein":[16],"kinase":[17],"B":[18],"(PKB)":[19],"inhibitors":[20],"derived":[21],"from":[22],"fragment-":[23],"and":[24,47,59,86,145,193,202],"structure-based":[25],"drug":[26,210],"design.":[27],"These":[28,108],"protein-ligand":[29],"complexes":[30],"were":[31,52],"selected":[32],"because":[33],"they":[34],"represent":[35],"consistent":[37],"set":[38],"experimental":[40],"data":[41,92],"that":[42,99,139,169,185,212],"includes":[43],"both":[44,56],"crystal":[45],"structures":[46],"affinities.":[48],"Seven":[49],"scoring":[50],"functions":[51],"evaluated":[53],"based":[54],"on":[55,175],"the":[57,60,72,104,122,130,136,167,171,199,203],"PM3":[58],"AM1":[61],"Hamiltonians.":[62],"The":[63,158,178],"optimal":[64],"models":[65],"obtained":[66],"by":[67,79,87],"partial":[68],"least-squares":[69],"aligned":[73],"poses":[74],"are":[75,186],"predictive":[76],"as":[77,119],"measured":[78],"number":[81],"standard":[83],"statistical":[84],"criteria":[85],"validation":[88],"with":[89],"an":[90,151],"external":[91],"set.":[93],"An":[94],"algorithm":[95],"has":[96],"developed":[98],"provides":[100],"residue-based":[101,109],"contributions":[102,111],"to":[103,120,165,189,216],"overall":[105],"affinity.":[107,157],"can":[112],"be":[113,214],"plotted":[114],"in":[115,154,218],"heat":[116],"maps":[117,137,205],"so":[118],"highlight":[121],"most":[123,187],"important":[124,152],"residues":[125,168,184],"ligand":[127,176],"binding.":[128,177],"In":[129],"case":[131],"these":[133],"PKB":[134],"inhibitors,":[135],"show":[138],"Met166,":[140],"Thr97,":[141],"Gly43,":[142],"Glu114,":[143],"Ala116,":[144],"Val50,":[146],"among":[147],"other":[148,220],"residues,":[149],"play":[150],"role":[153],"determining":[155],"interaction":[159,200],"map":[161,182],"makes":[162],"it":[163],"easy":[164],"identify":[166],"largest":[172],"absolute":[173],"effect":[174],"structure-activity":[179],"relationship":[180],"(SAR)":[181],"highlights":[183],"critical":[188],"discriminating":[190],"between":[191],"more":[192],"less":[194],"potent":[195],"ligands.":[196],"Taken":[197],"together":[198],"SAR":[204],"provide":[206],"useful":[207],"insights":[208],"into":[209],"design":[211],"would":[213],"difficult":[215],"garner":[217],"any":[219],"way.":[221]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":2}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}