دورية أكاديمية
Molecular dynamics simulation dataset of a kinesin on tubulin heterodimers in electric field
| العنوان: | Molecular dynamics simulation dataset of a kinesin on tubulin heterodimers in electric field |
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| المؤلفون: | Jiří Průša, Michal Cifra |
| المصدر: | Data in Brief, Vol 52, Iss , Pp 109765- (2024) |
| بيانات النشر: | Elsevier, 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Computer applications to medicine. Medical informatics LCC:Science (General) |
| مصطلحات موضوعية: | Molecular dynamics, Electric field, Proteins, Microtubule, Kinesin, Computer applications to medicine. Medical informatics, R858-859.7, Science (General), Q1-390 |
| الوصف: | We present trajectories from non-equilibrium (in electric field) molecular dynamics (MD) simulations of a kinesin motor domain on tubulin heterodimers with two tubulin heterodimers forming neighbouring microtubule protofilaments. The trajectories are for no field (long equilibrium simulation), for four different electric field orientations (X, -X, Y, -Y) and for the X electric field at four different field strengths. We also provide a trajectory for larger simulation box. Our data enable to analyze the electric field effects on kinesin, which ultimately leads to kinesin detachment. This data set was used to understand the effect of electric field orientation and field strength on the kinetics and energetics of the electro-detachment of kinesin [1]. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2352-3409 |
| العلاقة: | http://www.sciencedirect.com/science/article/pii/S2352340923008326Test; https://doaj.org/toc/2352-3409Test |
| DOI: | 10.1016/j.dib.2023.109765 |
| الوصول الحر: | https://doaj.org/article/75ab9579f7c5453fab15055294f2c387Test |
| رقم الانضمام: | edsdoj.75ab9579f7c5453fab15055294f2c387 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 23523409 |
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| DOI: | 10.1016/j.dib.2023.109765 |