Počet záznamů: 1
Electro-opening of a microtubule lattice in silico
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SYSNO ASEP 0543296 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Electro-opening of a microtubule lattice in silico Tvůrce(i) Průša, Jiří (URE-Y)
Taha Ayoub, A. (EG)
Chafai, Djamel Eddine (URE-Y)
Havelka, Daniel (URE-Y) RID
Cifra, Michal (URE-Y) RID, ORCID, SAICelkový počet autorů 4 Zdroj.dok. Computational and Structural Biotechnology Journal. - : Elsevier - ISSN 2001-0370
Roč. 19, March (2021), s. 1488-1496Poč.str. 9 s. Forma vydání Tištěná - P Jazyk dok. eng - angličtina Země vyd. SE - Švédsko Klíč. slova Electric field ; Proteins ; Tubulin ; Microtubules ; Molecular dynamics simulation Vědní obor RIV BO - Biofyzika Obor OECD Biophysics CEP GX20-06873X GA ČR - Grantová agentura ČR Způsob publikování Open access Institucionální podpora URE-Y - RVO:67985882 UT WOS 000684840700020 DOI 10.1016/j.csbj.2021.02.007 Anotace Modulation of the structure and function of biomaterials is essential for advancing bio-nanotechnology and biomedicine. Microtubules (MTs) are self-assembled protein polymers that are essential for fundamental cellular processes and key model compounds for the design of active bio-nanomaterials. In this in silico study, a 0.5 μs-long all-atom molecular dynamics simulation of a complete MT with approximately 1.2 million atoms in the system indicated that a nanosecond-scale intense electric field can induce the longitudinal opening of the cylindrical shell of the MT lattice, modifying the structure of the MT. This effect is field-strength- and temperature-dependent and occurs on the cathode side. A model was formulated to explain the opening on the cathode side, which resulted from an electric-field-induced imbalance between electric torque on tubulin dipoles and cohesive forces between tubulin heterodimers. Our results open new avenues for electromagnetic modulation of biological and artificial materials through action on noncovalent molecular interactions Pracoviště Ústav fotoniky a elektroniky Kontakt Petr Vacek, vacek@ufe.cz, Tel.: 266 773 413, 266 773 438, 266 773 488 Rok sběru 2022 Elektronická adresa https://doi.org/10.1016/j.csbj.2021.02.007
Počet záznamů: 1