{"doi":"10.1115/1.0004258v","title":"On Numerical Modeling of Equal Channel Angular Extrusion of Ultra High Molecular Weight Polyethylene","abstract":"Regulators of G-protein signaling (RGS) proteins play a central role in modulating signaling via G-protein coupled receptors (GPCRs).Specifically, RGS proteins bind to activated Ga subunits in G-proteins, accelerate the GTP hydrolysis, and thereby rapidly dampen GPCR signaling.Therefore, covalent molecules targeting conserved cysteine residues among RGS proteins have emerged as potential candidates to inhibit the RGS/Ga protein-protein interaction and enhance GPCR signaling.Although these inhibitors bind to conserved cysteine residues among RGS proteins, we have previously suggested [J.Am.Chem.Soc.2018;140:3454-3460] that their potencies and specificities are related to differential protein dynamics among RGS proteins.Using data from all-atom molecular dynamics simulations, we reveal these differences in dynamics of RGS proteins by partitioning the protein structural space into a network of communities that allow allosteric signals to propagate along unique pathways originating at inhibitor binding sites and terminating at the RGS/Ga protein-protein interface.","journal":null,"year":2021,"id":222402,"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":1,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9582,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"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":823769,"name":"Kateryna Miroshnichenko","orcid":null,"position":1,"is_corresponding":false},{"id":823770,"name":"Stanislav Buklovskyi","orcid":null,"position":2,"is_corresponding":false},{"id":823517,"name":"Igor Tsukrov","orcid":"0000-0001-9331-5594","position":3,"is_corresponding":false},{"id":823771,"name":"Hannah Grover","orcid":null,"position":4,"is_corresponding":false},{"id":473055,"name":"Douglas W. Van Citters","orcid":"0000-0001-8914-1878","position":5,"is_corresponding":false},{"id":823516,"name":"Kostiantyn Vasylevskyi","orcid":"0000-0002-6667-2729","position":0,"is_corresponding":true}],"reference_count":51,"raw_metadata":null,"created_at":"2026-07-18T23:54:03.549854Z","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":[]}