{"doi":"10.1063/5.0049810","title":"Characterizing protein kinase A (PKA) subunits as macromolecular regulators of PKA RI<i>α</i> liquid–liquid phase separation","abstract":"Researchers developed a method called fast Fourier transform (FFT)-based modeling of atomistic protein–protein interactions applied to cross second virial coefficient B23(FMAPB23) to characterize protein kinase A (PKA) subunits as macromolecular regulators of PKA RIα liquid-liquid phase separation. The cross second virial coefficient B23 was calculated for Mg2+-bound PKAcat [denoted as PKAcat(Mg2+)] and cAMP-bound RIα [denoted as RIa(cAMP)]. Five structures for the first molecule were taken from PDB: 6NO7 chains E and G, 3O7L chain B, and 4NTT chains A and B, while two structures for the second molecule were taken from 4MX3 chains A and B. The results from the total of ten runs were used to calculate a mean value and a standard error of the mean.","journal":"The Journal of Chemical Physics","year":2021,"id":193952,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":10,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9598,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2021-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":612853,"name":"Sanbo Qin","orcid":"0000-0002-9187-6547","position":1,"is_corresponding":false},{"id":232965,"name":"Jason Z. Zhang","orcid":"0000-0003-0091-6273","position":2,"is_corresponding":false},{"id":71092,"name":"J. Andrew McCammon","orcid":"0000-0003-3065-1456","position":3,"is_corresponding":false},{"id":232973,"name":"Jin Zhang","orcid":"0000-0001-7145-7823","position":4,"is_corresponding":false},{"id":307873,"name":"Huan‐Xiang Zhou","orcid":"0000-0001-9020-0302","position":5,"is_corresponding":false},{"id":551862,"name":"Surl-Hee Ahn","orcid":"0000-0002-3422-805X","position":0,"is_corresponding":true}],"reference_count":11,"raw_metadata":null,"created_at":"2026-07-18T23:49:55.282992Z","pmid":"34241191","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":[]}