Premium
Simulation of the Mechanical Unfolding of the Ubiquitin by Pulling in Different Directions with Constant Speed
Author(s) -
Falkovich Stanislav,
Darinskii Anatolii,
Balabaev Nikolai,
Neelov Igor
Publication year - 2009
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.200950413
Subject(s) - constant (computer programming) , anisotropy , ubiquitin , atom (system on chip) , extension (predicate logic) , materials science , mechanics , physics , computer science , chemistry , optics , biochemistry , embedded system , gene , programming language
Mechanical extension of the ubiquitin with constant speed in five different directions is simulated on coarse‐grained Go‐like and all‐atom models. The anisotropy of the mechanical resistance of the protein is observed in agreement with experimental data. Differences and similarities between the results obtained for two models are discussed. It is shown that the unfolding begins from the rupture of contacts between residues located in the vicinity of points of the external load application.