Počet záznamů: 1
Electro-opening of a microtubule lattice in silico
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SYSNO ASEP 0550975 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, J. (CZ)
Taha Ayoub, A. (EG)
Chafai, Djamel Eddine (FGU-C) ORCID
Havelka, D. (CZ)
Cifra, M. (CZ)Zdroj.dok. Computational and Structural Biotechnology Journal. - : Elsevier - ISSN 2001-0370
Roč. 19, Mar 4 (2021), s. 1488-1496Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. SE - Švédsko Klíč. slova electric field ; proteins ; tubulin ; microtubules ; molecular dynamics simulation Obor OECD Neurosciences (including psychophysiology Způsob publikování Open access Institucionální podpora FGU-C - RVO:67985823 UT WOS 000684840700020 EID SCOPUS 85102655211 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 Fyziologický ústav Kontakt Lucie Trajhanová, lucie.trajhanova@fgu.cas.cz, Tel.: 241 062 400 Rok sběru 2022 Elektronická adresa https://doi.org/10.1016/j.csbj.2021.02.007
Počet záznamů: 1