{"id":"https://openalex.org/W3107678693","doi":"https://doi.org/10.1109/nems50311.2020.9265552","title":"Molecular Dynamics Simulation for Protein Unfolding","display_name":"Molecular Dynamics Simulation for Protein Unfolding","publication_year":2020,"publication_date":"2020-09-27","ids":{"openalex":"https://openalex.org/W3107678693","doi":"https://doi.org/10.1109/nems50311.2020.9265552","mag":"3107678693"},"language":"en","primary_location":{"id":"doi:10.1109/nems50311.2020.9265552","is_oa":false,"landing_page_url":"https://doi.org/10.1109/nems50311.2020.9265552","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2020 IEEE 15th International Conference on Nano/Micro Engineered and Molecular System (NEMS)","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"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/A5103176396","display_name":"Meng Yu","orcid":"https://orcid.org/0009-0005-4534-424X"},"institutions":[{"id":"https://openalex.org/I76569877","display_name":"Southeast University","ror":"https://ror.org/04ct4d772","country_code":"CN","type":"education","lineage":["https://openalex.org/I76569877"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Meng Yu","raw_affiliation_strings":["School of Mechanical Engineering, Jiangsu Key Laboratory for Design and Fabrication of Micro-Nano Biomedical Instruments, Southeast University, Nanjing, China"],"affiliations":[{"raw_affiliation_string":"School of Mechanical Engineering, Jiangsu Key Laboratory for Design and Fabrication of Micro-Nano Biomedical Instruments, Southeast University, Nanjing, China","institution_ids":["https://openalex.org/I76569877"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077266928","display_name":"Wei Si","orcid":"https://orcid.org/0000-0001-7285-058X"},"institutions":[{"id":"https://openalex.org/I76569877","display_name":"Southeast University","ror":"https://ror.org/04ct4d772","country_code":"CN","type":"education","lineage":["https://openalex.org/I76569877"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Si","raw_affiliation_strings":["School of Mechanical Engineering, Jiangsu Key Laboratory for Design and Fabrication of Micro-Nano Biomedical Instruments, Southeast University, Nanjing, China"],"affiliations":[{"raw_affiliation_string":"School of Mechanical Engineering, Jiangsu Key Laboratory for Design and Fabrication of Micro-Nano Biomedical Instruments, Southeast University, Nanjing, China","institution_ids":["https://openalex.org/I76569877"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5021448891","display_name":"Jingjie Sha","orcid":"https://orcid.org/0000-0002-0797-4460"},"institutions":[{"id":"https://openalex.org/I76569877","display_name":"Southeast University","ror":"https://ror.org/04ct4d772","country_code":"CN","type":"education","lineage":["https://openalex.org/I76569877"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jingjie Sha","raw_affiliation_strings":["School of Mechanical Engineering, Jiangsu Key Laboratory for Design and Fabrication of Micro-Nano Biomedical Instruments, Southeast University, Nanjing, China"],"affiliations":[{"raw_affiliation_string":"School of Mechanical Engineering, Jiangsu Key Laboratory for Design and Fabrication of Micro-Nano Biomedical Instruments, Southeast University, Nanjing, China","institution_ids":["https://openalex.org/I76569877"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5103176396"],"corresponding_institution_ids":["https://openalex.org/I76569877"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.11302606,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"55","issue":null,"first_page":"382","last_page":"386"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","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/T10044","display_name":"Protein Structure and Dynamics","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/T11162","display_name":"Enzyme Structure and Function","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10303","display_name":"Photosynthetic Processes and Mechanisms","score":0.995199978351593,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/protein-folding","display_name":"Protein folding","score":0.75734543800354},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7267164587974548},{"id":"https://openalex.org/keywords/folding","display_name":"Folding (DSP implementation)","score":0.6272544860839844},{"id":"https://openalex.org/keywords/lattice-protein","display_name":"Lattice protein","score":0.5144670009613037},{"id":"https://openalex.org/keywords/protein-secondary-structure","display_name":"Protein secondary structure","score":0.4773676097393036},{"id":"https://openalex.org/keywords/energy-landscape","display_name":"Energy landscape","score":0.47462666034698486},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.41962727904319763},{"id":"https://openalex.org/keywords/phi-value-analysis","display_name":"Phi value analysis","score":0.4163576662540436},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.3886529207229614},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.3842133581638336},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3655243515968323},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.34263384342193604},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3250734508037567},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.1980990469455719},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.16929063200950623},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.07951092720031738},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.07724860310554504}],"concepts":[{"id":"https://openalex.org/C204328495","wikidata":"https://www.wikidata.org/wiki/Q847556","display_name":"Protein folding","level":2,"score":0.75734543800354},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7267164587974548},{"id":"https://openalex.org/C2776545253","wikidata":"https://www.wikidata.org/wiki/Q5464292","display_name":"Folding (DSP implementation)","level":2,"score":0.6272544860839844},{"id":"https://openalex.org/C32598905","wikidata":"https://www.wikidata.org/wiki/Q6497130","display_name":"Lattice protein","level":3,"score":0.5144670009613037},{"id":"https://openalex.org/C62614982","wikidata":"https://www.wikidata.org/wiki/Q904984","display_name":"Protein secondary structure","level":2,"score":0.4773676097393036},{"id":"https://openalex.org/C119621388","wikidata":"https://www.wikidata.org/wiki/Q5377166","display_name":"Energy landscape","level":2,"score":0.47462666034698486},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.41962727904319763},{"id":"https://openalex.org/C162203774","wikidata":"https://www.wikidata.org/wiki/Q7181581","display_name":"Phi value analysis","level":3,"score":0.4163576662540436},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.3886529207229614},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3842133581638336},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3655243515968323},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.34263384342193604},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3250734508037567},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1980990469455719},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.16929063200950623},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.07951092720031738},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.07724860310554504},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/nems50311.2020.9265552","is_oa":false,"landing_page_url":"https://doi.org/10.1109/nems50311.2020.9265552","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2020 IEEE 15th International Conference on Nano/Micro Engineered and Molecular System (NEMS)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322769","display_name":"Natural Science Foundation of Jiangsu Province","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1964296596","https://openalex.org/W1966743338","https://openalex.org/W1967856778","https://openalex.org/W1970900907","https://openalex.org/W1971108880","https://openalex.org/W1973897761","https://openalex.org/W1986934575","https://openalex.org/W1988624456","https://openalex.org/W2014050554","https://openalex.org/W2014095962","https://openalex.org/W2014272598","https://openalex.org/W2030384127","https://openalex.org/W2047510784","https://openalex.org/W2049708286","https://openalex.org/W2067174909","https://openalex.org/W2070753604","https://openalex.org/W2083123455","https://openalex.org/W2088780328","https://openalex.org/W2093047483","https://openalex.org/W2107119773","https://openalex.org/W2111880695","https://openalex.org/W2119079763","https://openalex.org/W2121210187","https://openalex.org/W2134759848","https://openalex.org/W2147396853","https://openalex.org/W2150981663","https://openalex.org/W2165768701","https://openalex.org/W2324294207","https://openalex.org/W2329113412","https://openalex.org/W2950069295","https://openalex.org/W2952680488"],"related_works":["https://openalex.org/W1994742030","https://openalex.org/W2081866413","https://openalex.org/W1988606236","https://openalex.org/W1525971980","https://openalex.org/W2522784337","https://openalex.org/W2049043767","https://openalex.org/W2314173425","https://openalex.org/W2128846694","https://openalex.org/W1982122959","https://openalex.org/W2125980137"],"abstract_inverted_index":{"Protein":[0],"folding":[1,25,28,79,149,171],"research":[2,8,49,73],"has":[3],"always":[4],"been":[5,38],"a":[6],"significant":[7],"topic":[9],"in":[10,81,96,106,116],"biological":[11],"sciences.":[12],"However,":[13],"due":[14],"to":[15,51,65,70,91,166],"the":[16,22,27,31,48,53,72,75,86,94,97,104,114,117,125,139,147,152,160],"diversity":[17],"of":[18,24,30,34,55,88,119,135],"protein":[19,56,67,78,148,164,170],"structures":[20,90],"and":[21,93,122,168],"unpredictability":[23],"pathways,":[26],"mechanism":[29,80],"natural":[32],"structure":[33],"proteins":[35],"have":[36,138,151],"not":[37],"clearly":[39],"explained.":[40],"In":[41],"this":[42],"work,":[43],"ubiquitin":[44],"is":[45,69,144,157],"used":[46],"as":[47],"object":[50],"analyze":[52],"process":[54,127],"unfolding":[57,68,92,98,126,165],"through":[58],"molecular":[59],"dynamics":[60],"(MD)":[61],"simulation.":[62],"The":[63,100],"aim":[64],"do":[66],"enlighten":[71],"on":[74],"issue":[76],"about":[77],"reverse.":[82],"Our":[83],"simulation":[84],"reveals":[85],"order":[87],"secondary":[89,110],"segmentation":[95],"process.":[99],"results":[101,161],"can":[102],"confirm":[103],"difference":[105],"stability":[107],"between":[108],"various":[109],"structures.":[111],"After":[112],"that,":[113],"changes":[115],"number":[118],"hydrogen":[120],"bonds":[121],"energy":[123],"during":[124],"are":[128],"focused":[129],"on.":[130],"It":[131,143,156],"indicates":[132],"that":[133,146],"both":[134],"them":[136],"also":[137],"same":[140],"step":[141,154],"phenomenon.":[142,155],"presumed":[145],"may":[150],"similar":[153],"hopeful":[158],"for":[159],"obtained":[162],"from":[163],"guide":[167],"inspire":[169],"mechanisms.":[172]},"counts_by_year":[{"year":2024,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
