{"id":"https://openalex.org/W2554210348","doi":"https://doi.org/10.1021/acs.jcim.6b00445","title":"Plasma Protein Binding of Anisomelic Acid: Spectroscopy and Molecular Dynamic Simulations","display_name":"Plasma Protein Binding of Anisomelic Acid: Spectroscopy and Molecular Dynamic Simulations","publication_year":2016,"publication_date":"2016-11-16","ids":{"openalex":"https://openalex.org/W2554210348","doi":"https://doi.org/10.1021/acs.jcim.6b00445","mag":"2554210348","pmid":"https://pubmed.ncbi.nlm.nih.gov/28024399"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.6b00445","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.6b00445","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/A5101818100","display_name":"Rajendran Senthilkumar","orcid":"https://orcid.org/0000-0002-8705-150X"},"institutions":[{"id":"https://openalex.org/I130217899","display_name":"\u00c5bo Akademi University","ror":"https://ror.org/029pk6x14","country_code":"FI","type":"education","lineage":["https://openalex.org/I130217899"]}],"countries":["FI"],"is_corresponding":true,"raw_author_name":"Rajendran Senthilkumar","raw_affiliation_strings":["Faculty\rof Science and Engineering, Cell Biology, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland"],"raw_orcid":"https://orcid.org/0000-0002-8705-150X","affiliations":[{"raw_affiliation_string":"Faculty\rof Science and Engineering, Cell Biology, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland","institution_ids":["https://openalex.org/I130217899"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073986742","display_name":"Parthiban Marimuthu","orcid":"https://orcid.org/0000-0003-4960-2160"},"institutions":[{"id":"https://openalex.org/I130217899","display_name":"\u00c5bo Akademi University","ror":"https://ror.org/029pk6x14","country_code":"FI","type":"education","lineage":["https://openalex.org/I130217899"]}],"countries":["FI"],"is_corresponding":false,"raw_author_name":"Parthiban Marimuthu","raw_affiliation_strings":["Structural\rBioinformatics Laboratory, Biochemistry, Faculty of Science and Engineering, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Structural\rBioinformatics Laboratory, Biochemistry, Faculty of Science and Engineering, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland","institution_ids":["https://openalex.org/I130217899"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071058660","display_name":"Preethy Paul","orcid":"https://orcid.org/0000-0002-3250-046X"},"institutions":[{"id":"https://openalex.org/I130217899","display_name":"\u00c5bo Akademi University","ror":"https://ror.org/029pk6x14","country_code":"FI","type":"education","lineage":["https://openalex.org/I130217899"]}],"countries":["FI"],"is_corresponding":false,"raw_author_name":"Preethy Paul","raw_affiliation_strings":["Faculty\rof Science and Engineering, Cell Biology, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty\rof Science and Engineering, Cell Biology, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland","institution_ids":["https://openalex.org/I130217899"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006991743","display_name":"Yesaiyan Manojkumar","orcid":"https://orcid.org/0000-0003-0300-2100"},"institutions":[{"id":"https://openalex.org/I4076070","display_name":"Bharathidasan University","ror":"https://ror.org/02w7vnb60","country_code":"IN","type":"education","lineage":["https://openalex.org/I4076070"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Yesaiyan Manojkumar","raw_affiliation_strings":["School\rof Chemistry, Bharathidasan University, Tiruchirappalli-620 024, Tamil Nadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School\rof Chemistry, Bharathidasan University, Tiruchirappalli-620 024, Tamil Nadu, India","institution_ids":["https://openalex.org/I4076070"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032596764","display_name":"Sankaralingam Arunachalam","orcid":"https://orcid.org/0000-0003-0813-1032"},"institutions":[{"id":"https://openalex.org/I4076070","display_name":"Bharathidasan University","ror":"https://ror.org/02w7vnb60","country_code":"IN","type":"education","lineage":["https://openalex.org/I4076070"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sankaralingam Arunachalam","raw_affiliation_strings":["School\rof Chemistry, Bharathidasan University, Tiruchirappalli-620 024, Tamil Nadu, India"],"raw_orcid":"https://orcid.org/0000-0003-0813-1032","affiliations":[{"raw_affiliation_string":"School\rof Chemistry, Bharathidasan University, Tiruchirappalli-620 024, Tamil Nadu, India","institution_ids":["https://openalex.org/I4076070"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035567894","display_name":"John Eriksson","orcid":"https://orcid.org/0000-0002-1570-7725"},"institutions":[{"id":"https://openalex.org/I130217899","display_name":"\u00c5bo Akademi University","ror":"https://ror.org/029pk6x14","country_code":"FI","type":"education","lineage":["https://openalex.org/I130217899"]}],"countries":["FI"],"is_corresponding":false,"raw_author_name":"John E. Eriksson","raw_affiliation_strings":["Faculty\rof Science and Engineering, Cell Biology, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty\rof Science and Engineering, Cell Biology, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland","institution_ids":["https://openalex.org/I130217899"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089062316","display_name":"Mark S. Johnson","orcid":"https://orcid.org/0000-0002-0496-358X"},"institutions":[{"id":"https://openalex.org/I130217899","display_name":"\u00c5bo Akademi University","ror":"https://ror.org/029pk6x14","country_code":"FI","type":"education","lineage":["https://openalex.org/I130217899"]}],"countries":["FI"],"is_corresponding":false,"raw_author_name":"Mark S. Johnson","raw_affiliation_strings":["Structural\rBioinformatics Laboratory, Biochemistry, Faculty of Science and Engineering, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Structural\rBioinformatics Laboratory, Biochemistry, Faculty of Science and Engineering, \u00c5bo Akademi University, Tykist\u00f6katu 6A, FI-20520 Turku, Finland","institution_ids":["https://openalex.org/I130217899"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5101818100"],"corresponding_institution_ids":["https://openalex.org/I130217899"],"apc_list":null,"apc_paid":null,"fwci":2.4406,"has_fulltext":false,"cited_by_count":29,"citation_normalized_percentile":{"value":0.89294614,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"56","issue":"12","first_page":"2401","last_page":"2412"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.9998999834060669,"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/T11908","display_name":"Protein Interaction Studies and Fluorescence Analysis","score":0.9998999834060669,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9975000023841858,"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/T12094","display_name":"Hemoglobin structure and function","score":0.994700014591217,"subfield":{"id":"https://openalex.org/subfields/1307","display_name":"Cell 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/molecular-dynamics","display_name":"Molecular dynamics","score":0.6011434197425842},{"id":"https://openalex.org/keywords/spectroscopy","display_name":"Spectroscopy","score":0.4850234389305115},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.48045605421066284},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.39000633358955383},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.29272955656051636},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.18931740522384644},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1400926113128662}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6011434197425842},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.4850234389305115},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.48045605421066284},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.39000633358955383},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29272955656051636},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.18931740522384644},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1400926113128662},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002417","descriptor_name":"Cattle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002417","descriptor_name":"Cattle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002417","descriptor_name":"Cattle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004224","descriptor_name":"Diterpenes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004224","descriptor_name":"Diterpenes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004224","descriptor_name":"Diterpenes","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012709","descriptor_name":"Serum Albumin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012709","descriptor_name":"Serum Albumin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012709","descriptor_name":"Serum Albumin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012710","descriptor_name":"Serum Albumin, Bovine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012710","descriptor_name":"Serum Albumin, Bovine","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012710","descriptor_name":"Serum Albumin, Bovine","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","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":"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":3,"locations":[{"id":"doi:10.1021/acs.jcim.6b00445","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.6b00445","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:28024399","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/28024399","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:publications/02811d01-85b3-4b00-b2e7-764147ccf511","is_oa":false,"landing_page_url":"https://research.abo.fi/en/publications/02811d01-85b3-4b00-b2e7-764147ccf511","pdf_url":null,"source":{"id":"https://openalex.org/S4406923060","display_name":"\u00c5bo Akademi University Research Portal","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Rajendran, S, Marimuthu, P, Paul, P, Manojkumar, Y, Arunachalam, S, Eriksson, J & Johnson, M S 2016, 'Plasma Protein Binding of Anisomelic Acid: Spectroscopy and Molecular Dynamic Simulations', Journal of Chemical Information and Modeling, vol. 56, no. 12, pp. 2401\u20132412. https://doi.org/10.1021/acs.jcim.6b00445","raw_type":"info:eu-repo/semantics/publishedVersion"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W1540977682","https://openalex.org/W1556427589","https://openalex.org/W1566111314","https://openalex.org/W1964900539","https://openalex.org/W1975691556","https://openalex.org/W1979683091","https://openalex.org/W2001907362","https://openalex.org/W2004298119","https://openalex.org/W2008280409","https://openalex.org/W2009423060","https://openalex.org/W2015688756","https://openalex.org/W2019574809","https://openalex.org/W2021832765","https://openalex.org/W2029667189","https://openalex.org/W2031168104","https://openalex.org/W2040184556","https://openalex.org/W2042127676","https://openalex.org/W2056352708","https://openalex.org/W2067174909","https://openalex.org/W2071055678","https://openalex.org/W2072488403","https://openalex.org/W2075705506","https://openalex.org/W2081583351","https://openalex.org/W2084951981","https://openalex.org/W2086779432","https://openalex.org/W2092346411","https://openalex.org/W2097688080","https://openalex.org/W2104766043","https://openalex.org/W2106140689","https://openalex.org/W2119634183","https://openalex.org/W2129153475","https://openalex.org/W2129995310","https://openalex.org/W2142868265","https://openalex.org/W2149302140","https://openalex.org/W2150981663","https://openalex.org/W2153954921","https://openalex.org/W2156879354","https://openalex.org/W2164270482","https://openalex.org/W2191053675","https://openalex.org/W2321766973","https://openalex.org/W2334371566","https://openalex.org/W2495859430","https://openalex.org/W4205469314","https://openalex.org/W4230163636"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834"],"abstract_inverted_index":{"Anisomelic":[0],"acid":[1],"(AA)":[2],"is":[3,128],"a":[4,93],"macrocyclic":[5],"cembranolide":[6],"compound":[7],"extracted":[8],"from":[9],"Anisomeles":[10],"herbal":[11],"species.":[12],"Recently,":[13],"we":[14,38],"have":[15],"shown":[16],"that":[17,89],"AA":[18,34,44,80,100],"possesses":[19],"both":[20],"anticancer":[21],"and":[22,53,65,75,83,103,139,148],"antiviral":[23],"activity.":[24],"However,":[25],"to":[26,70,101,126],"date,":[27],"the":[28,40,72,76,97,108,114],"plasma":[29],"protein":[30],"binding":[31,133],"properties":[32],"of":[33,43,79,99,107,113],"are":[35],"unknown.":[36],"Here,":[37],"describe":[39],"molecular":[41,63,153],"interactions":[42],"with":[45,81,163],"two":[46],"serum":[47,50,55],"proteins,":[48],"human":[49],"albumin":[51,56],"(HSA)":[52],"bovine":[54],"(BSA),":[57],"adopting":[58],"multiple":[59],"physicochemical":[60],"methods.":[61],"Besides,":[62],"docking":[64],"dynamics":[66],"simulations":[67],"were":[68,160],"performed":[69],"predict":[71],"interaction":[73,98],"mode":[74],"dynamic":[77],"behavior":[78],"HSA":[82,102],"BSA.":[84,104],"The":[85,105],"experimental":[86,165],"results":[87],"revealed":[88],"hydrophobic":[90],"forces":[91],"play":[92],"significant":[94],"part":[95],"in":[96,123],"outcomes":[106],"principal":[109],"components":[110],"analysis":[111],"(PCA)":[112],"poses":[115],"based":[116,151],"on":[117,152],"root-mean-squared":[118],"distances":[119],"showed":[120],"less":[121],"variation":[122],"AA-HSA,":[124],"opposed":[125],"what":[127],"seen":[129],"for":[130,137],"BSA-AA.":[131],"Furthermore,":[132],"free":[134],"energies":[135],"estimated":[136],"AA-HSA":[138],"AA-BSA":[140],"complexes":[141],"at":[142],"different":[143],"temperatures":[144],"(298,":[145],"303,":[146],"308,":[147],"313":[149],"K)":[150],"mechanics-generalized":[154],"Born":[155],"surface":[156],"area":[157],"(MMGBSA)":[158],"approaches":[159],"well":[161],"correlated":[162],"our":[164],"results.":[166]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":4},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":2}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
