{"doi":"10.1101/2020.03.10.986398","title":"The SARS-CoV-2 exerts a distinctive strategy for interacting with the ACE2 human receptor","abstract":"<jats:title>Abstract</jats:title>\n                <jats:p>The COVID-19 disease has plagued over 110 countries and has resulted in over 4,000 deaths within 10 weeks. We compare the interaction between the human ACE2 receptor and the SARS-CoV-2 spike protein with that of other pathogenic coronaviruses using molecular dynamics simulations. SARS-CoV, SARS-CoV-2, and HCoV-NL63 recognize ACE2 as the natural receptor but present a distinct binding interface to ACE2 and a different network of residue-residue contacts. SARS-CoV and SARS-CoV-2 have comparable binding affinities achieved by balancing energetics and dynamics. The SARS-CoV-2–ACE2 complex contains a higher number of contacts, a larger interface area, and decreased interface residue fluctuations relative to SARS-CoV. These findings expose an exceptional evolutionary exploration exerted by coronaviruses toward host recognition. We postulate that the versatility of cell receptor binding strategies has immediate implications on therapeutic strategies.</jats:p>\n                <jats:sec>\n                  <jats:title>One Sentence Summary</jats:title>\n                  <jats:p>Molecular dynamics simulations reveal a temporal dimension of coronaviruses interactions with the host receptor.</jats:p>\n                </jats:sec>","journal":null,"year":null,"id":603225,"datarank":0.5837730447165941,"base_score":3.8918202981106265,"endowment":3.8918202981106265,"self_citation_contribution":0.5837730447165941,"citation_network_contribution":0.0,"self_endowment_contribution":0.5837730447165941,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":48,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":188091,"name":"Dina Schneidman-Duhovny","orcid":null,"position":1,"is_corresponding":false},{"id":15775,"name":"Michal Linial","orcid":null,"position":2,"is_corresponding":false},{"id":1036854,"name":"Esther S. Brielle","orcid":"0000-0002-6114-0301","position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"The SARS-CoV-2 exerts a distinctive strategy for interacting with the ACE2 human receptor","abstract":"<jats:title>Abstract</jats:title>\n                <jats:p>The COVID-19 disease has plagued over 110 countries and has resulted in over 4,000 deaths within 10 weeks. We compare the interaction between the human ACE2 receptor and the SARS-CoV-2 spike protein with that of other pathogenic coronaviruses using molecular dynamics simulations. SARS-CoV, SARS-CoV-2, and HCoV-NL63 recognize ACE2 as the natural receptor but present a distinct binding interface to ACE2 and a different network of residue-residue contacts. SARS-CoV and SARS-CoV-2 have comparable binding affinities achieved by balancing energetics and dynamics. The SARS-CoV-2–ACE2 complex contains a higher number of contacts, a larger interface area, and decreased interface residue fluctuations relative to SARS-CoV. These findings expose an exceptional evolutionary exploration exerted by coronaviruses toward host recognition. We postulate that the versatility of cell receptor binding strategies has immediate implications on therapeutic strategies.</jats:p>\n                <jats:sec>\n                  <jats:title>One Sentence Summary</jats:title>\n                  <jats:p>Molecular dynamics simulations reveal a temporal dimension of coronaviruses interactions with the host receptor.</jats:p>\n                </jats:sec>","is_dataset_classified":null,"base_score":3.8918202981106265,"endowment":3.8918202981106265,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"21097893","pmcid":null,"openalex_id":"https://openalex.org/W3010817037","authors":[],"funders":[],"total_grants":0,"fwci":null,"citation_percentile":null,"influential_citations":0,"citation_trend":[{"year":2020,"count":27},{"year":2021,"count":11},{"year":2022,"count":7},{"year":2023,"count":1},{"year":2025,"count":2}],"oa_status":"green","license":"cc-by-nc-nd","oa_locations":[{"url":"https://www.biorxiv.org/content/biorxiv/early/2020/03/12/2020.03.10.986398.full.pdf","host_type":"repository"},{"url":"https://www.biorxiv.org/content/biorxiv/early/2020/03/12/2020.03.10.986398.full.pdf","host_type":"repository"},{"url":"https://syndication.highwire.org/content/doi/10.1101/2020.03.10.986398","host_type":"publisher"},{"url":"https://doi.org/10.1101/2020.03.10.986398","host_type":"repository"},{"url":"https://europepmc.org/article/PPR/PPR117026","host_type":"Europe_PMC"},{"url":"https://europepmc.org/api/fulltextRepo?pprId=PPR117026&type=FILE&fileName=EMS93886-pdf.pdf&mimeType=application/pdf","host_type":"Europe_PMC"}],"fields_of_study":["SARS-CoV-2 and COVID-19 Research","COVID-19 Clinical Research Studies","Computational Drug Discovery Methods"],"mesh_terms":[],"keywords":["Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","Receptor","Coronavirus disease 2019 (COVID-19)","Binding affinities","Coronavirus","2019-20 coronavirus outbreak","Biology","Affinities","Spike Protein","Binding site","Plasma protein binding","Computational biology","Virology","Genetics","Cell biology","Disease","Infectious disease (medical specialty)","Medicine","Biochemistry","Outbreak"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Partnerships for the goals"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-07-29T21:24:10.524858Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}