Steered MD simulations of the inactive-active transition

By Ainara Claveras Cabezudo, MSc and Annan (Zeke) Cook, BSc
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Output Details

Description
This protocol details steered molecular dynamics simulations of the transition from the inactive to the active PI3KC3-C1 complex bound to RAB1A on a lipid membrane.
Identifier (DOI)
10.17504/protocols.io.eq2ly68drgx9/v1
Tags
  • Molecular Dynamics simulation (MD)
  • Other
  • PI3KC3-C1 complex
  • Rab GTPases
Team
Team Hurley
Program
Collaborative Research Network
Theme
PD Functional Genomics

Meet the Authors

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    Ainara Claveras Cabezudo, MSc

    Key Personnel: Team Hurley, 

    Max Planck Institute of Biophysics

  • Annan (Zeke) Cook, BSc

    Key Personnel: Team Hurley, 

    University of California, Berkeley

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Structural pathway for PI3-kinase regulation by VPS15 in autophagy

Cryo-EM analysis reveals activation pathway of PI3KC3-C1 in atomistic detail.

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Data associated with “Structural pathway for PI 3-kinase regulation by VPS15 in autophagy”

All data from the manuscript "Structural pathway for PI 3-kinase regulation by VPS15 in autophagy" All figures can be reproduced from the files in this zenodo upload.

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Molecular Dynamics Simulations of Active, Membrane-Engaged Complex

The protocol describes molecular dynamics simulations of PI3KC3-C1 complex with RAB1A on a lipid membrane for studying protein interactions.

View Protocol
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