TY  - JOUR
U1  - Wissenschaftlicher Artikel
A1  - Kulke, Martin
A1  - Langel, Walter
T1  - Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin αVβ3
JF  - Proteins: Structure, Function, and Bioinformatics
N2  - Abstract
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.
KW  - dihedral principal component analysis
KW  - extracellular matrix
KW  - membrane protein
KW  - steered molecular dynamics
KW  - talin
Y1  - 2020
UN  - https://nbn-resolving.org/urn:nbn:de:gbv:9-opus-40261
U6  - https://doi.org/10.1002/prot.25849
DO  - https://doi.org/10.1002/prot.25849
VL  - 88
IS  - 5
SP  - 679
EP  - 688
PB  - Wiley
CY  - Hoboken, NJ
ER  -