Published June 1, 2023 | Version v1
Journal article Open

MD simulations for "TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease"

  • 1. Duke University
  • 2. Johns Hopkins University
  • 3. Lehigh University

Description

MD simulations for publication "­­­TRPV4-Rho GTPase complex structures reveal ­­mechanisms of gating and disease" on Nature Communications. Initial and last system snapshots of 8 simulation systems are provided: 
1) GSK279-TRPV4 in GSK279 pose I,
2) GSK279-TRPV4 in GSK279 pose II,
3) GSK279-TRPV4-RhoA-GDP in GSK279 pose I,
4) GSK101-TRPV4,
5) GSK101-TRPV4-RhoA-GTP,
6) 4α-PDD-TRPV4 in 4α-PDD pose I,
7) 4α-PDD-TRPV4 in 4α-PDD pose II,
8) 4α-PDD-TRPV4 in 4α-PDD pose III.

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