{"doi":"10.1021/acs.jpcb.2c04651","title":"Exploring Structural Flexibility and Stability of α-Synuclein by the Landau–Ginzburg–Wilson Approach","abstract":", αS forms polymorphic amyloid fibrils with unique arrangements of cross-β-sheet motifs. Therefore, it is of interest to elucidate the origins of the structural flexibility of αS and what makes αS stable in different conformations. We address these questions here by analyzing the experimental structures of the micelle-bound, tetrameric, and fibrillar αS in terms of a kink (heteroclinic standing wave solution) of a generalized discrete nonlinear Schrödinger equation. It is illustrated that without molecular dynamics simulations the kinks are capable of identifying the key residues causing structural flexibility of αS. Also, the stability of the experimental structures of αS is investigated by simulating heating/cooling trajectories using the Glauber algorithm. The findings are consistent with experiments.","journal":"The Journal of Physical Chemistry B","year":2022,"id":288778,"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":7,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9583,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2022-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":969520,"name":"A. M. Begun","orcid":"0000-0001-8399-0617","position":1,"is_corresponding":false},{"id":969936,"name":"S. D. Liubimov","orcid":null,"position":2,"is_corresponding":false},{"id":969937,"name":"Khatuna Kachlishvili","orcid":null,"position":3,"is_corresponding":false},{"id":969521,"name":"A. V. Molochkov","orcid":"0000-0002-3578-703X","position":4,"is_corresponding":false},{"id":969522,"name":"Antti J. Niemi","orcid":"0000-0003-3408-5834","position":5,"is_corresponding":false},{"id":728253,"name":"Gia G. Maisuradze","orcid":"0000-0002-1901-8433","position":6,"is_corresponding":false},{"id":969519,"name":"Anatolii Korneev","orcid":"0000-0002-5282-0460","position":0,"is_corresponding":true}],"reference_count":51,"raw_metadata":null,"created_at":"2026-07-19T00:30:14.968626Z","pmid":"36053833","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":[]}