Overview of the method and typical results of the quaternion-based steered MD simulations of receptor activation.

<p>(A) Schematic representation of the quaternion describing the TM6 motion. The inactive and active structures of AT1 are superimposed. The rotation axis of the TM6 N-terminal half is obtained from the cross product of the vectors representing the axis of TM6 before (î, silver) and after (ĵ,...

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Bibliographic Details
Main Author:	Rym Ben Boubaker (12133087) (author)
Other Authors:	Daniel Henrion (431681) (author), Marie Chabbert (223683) (author)
Published:	2024
Subjects:	Biophysics Biochemistry Cell Biology Biotechnology Science Policy Computational Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified transmembrane helix 6 continued without constraints anionic phosphoglycerol lipids anionic lipids act tm6 opening characteristic receptor intracellular domain including mechanical stress conformational transition sensitive applying surface tension active conformations makes novel tm6 conformation outward tm7 conformation transient atypical structure at1 )</ p surface tension mechanical stress conformational transition active structure outward tm6 surrounding lipids atypical conformation inward tm7 intermediary conformations atypical structure section area results reveal relax around receptor environment receptor c quaternion formalism pulling force membrane stretching lipid internalization lipid heads lateral pressure findings contribute evolved toward different conditions different bilayers at1 ). allosteric modulators
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Overview of the method and typical results of the quaternion-based steered MD simulations of receptor activation.

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