Victor A. S. daMata*, Giseli M. Moreira, Adevânia J. da Silva, Romarly F. da Costa, Luiz A. V. Mendes and Manoel G. P. Homem,
{"title":"","authors":"Victor A. S. daMata*, Giseli M. Moreira, Adevânia J. da Silva, Romarly F. da Costa, Luiz A. V. Mendes and Manoel G. P. Homem, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 3","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.5c00006","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144448904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mariana B. M. S. Medeiros, Josenilton N. Sousa, Manuela S. Arruda, Milton M. Fujimoto, Manoel G. P. Homem, Helder K. Tanaka, Bruno Credidio, Ricardo R. T. Marinho and Frederico V. Prudente*,
{"title":"","authors":"Mariana B. M. S. Medeiros, Josenilton N. Sousa, Manuela S. Arruda, Milton M. Fujimoto, Manoel G. P. Homem, Helder K. Tanaka, Bruno Credidio, Ricardo R. T. Marinho and Frederico V. Prudente*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 3","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00101","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144448911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Guillaume P. Laurent, Samuel L. Leonard, Mita Halder, Damien B. Culver, Peng Xu, Mark S. Gordon and Frédéric A. Perras*,
{"title":"","authors":"Guillaume P. Laurent, Samuel L. Leonard, Mita Halder, Damien B. Culver, Peng Xu, Mark S. Gordon and Frédéric A. Perras*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 3","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.5c00007","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144448905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Clark Otey, Mukund Sharma, Jazmine Prana, Thomas M. Czyszczon-Burton, Alejandro Hernandez, María Camarasa-Gómez*, Daniel Hernangómez-Pérez* and Michael S. Inkpen*,
{"title":"","authors":"Clark Otey, Mukund Sharma, Jazmine Prana, Thomas M. Czyszczon-Burton, Alejandro Hernandez, María Camarasa-Gómez*, Daniel Hernangómez-Pérez* and Michael S. Inkpen*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 3","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.5c00021","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144448910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
ACS Physical Chemistry AuPub Date : 2025-05-08DOI: 10.1021/acsphyschemau.5c0002810.1021/acsphyschemau.5c00028
Karinna Mendanha, and , Guilherme Colherinhas*,
{"title":"Molecular Dynamics Simulations of Self-Assembled E2(SW)6E2 Peptide Nanofibers: Implications for Drug Delivery and Biomimetic Material Design","authors":"Karinna Mendanha, and , Guilherme Colherinhas*, ","doi":"10.1021/acsphyschemau.5c0002810.1021/acsphyschemau.5c00028","DOIUrl":"https://doi.org/10.1021/acsphyschemau.5c00028https://doi.org/10.1021/acsphyschemau.5c00028","url":null,"abstract":"<p >This work investigates the molecular dynamics of the peptide nanofiber E<sub>2</sub>(SW)<sub>6</sub>E<sub>2</sub>, a biomolecule/structure in an aqueous solution, characterized by hydrophilic and hydrophobic contrasts. Through classical molecular dynamics simulations, the study examines the energetic, structural, and dynamic properties of this nanofiber, with a focus on energetic and hydrogen bond (HB) interactions between peptides and peptide-water. Simulations of different fiber lengths indicate that larger models exhibit increased structural stability and longer HB lifetimes, contributing to enhanced fiber flexibility and integrity. Additionally, the analysis of the mass density profile along the nanofiber length reveals local decreases (but not zero) in mass density. The results further emphasize the potential of these structures for applications in ion and drug transport due to their hydrophobic core and hydrophilic surface. This work provides a comprehensive understanding of molecular interactions in self-assembled bionanomaterials in aqueous solutions.</p>","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 3","pages":"302–315 302–315"},"PeriodicalIF":3.7,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsphyschemau.5c00028","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144146620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
