Premium
Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin α V β 3
Author(s) -
Kulke Martin,
Langel Walter
Publication year - 2020
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/prot.25849
Subject(s) - integrin , molecular dynamics , transmembrane protein , dynamics (music) , membrane , biophysics , chemistry , molecule , microbiology and biotechnology , materials science , cell , physics , biology , receptor , biochemistry , computational chemistry , acoustics , organic chemistry
The bidirectional force transmission process of integrin through the cell membrane is still not well understood. Several possible mechanisms have been discussed in literature on the basis of experimental data, and in this study, we investigate these mechanisms by free and steered molecular dynamics simulations. For the first time, constant velocity pulling on the complete integrin molecule inside a dipalmitoyl‐phosphatidylcholine membrane is conducted. From the results, the most likely mechanism for inside‐out and outside‐in signaling is the switchblade model with further separation of the transmembrane helices.