Published May 27, 2022 | Version v1
Dataset Open

Simulation Parameters for Two Cooperative Binding Sites Sensitize PI(4,5)P2 Recognition by the Tubby Domain

Creators

  • 1. Institute for Physiology and Pathophysiology, Philipps University Marburg, Germany
  • 2. Groningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Materials, University of Groningen, Netherlands
  • 3. Frankfurt Insittute for Advacned Studies, Frankfurt am Main, Germany

Description

Dataset to perform the coarse-grained MD simulations presented in "Two cooperative binding sites sensitize PI(4,5)P2 recognition by the tubby domain". The dataset includes protein structures and GROMACS simulation files such as mdp, itp, gro, and index files for the tubby domain as well as PLC-delta1 PH domain.

Files

dataset_tubbyCT-PIP2.zip

Files (3.8 MB)

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md5:6e0eef1c2d2d44baced863ffde768527
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Additional details

Related works

Is supplement to
Preprint: 10.1101/2020.09.23.309492 (DOI)

Funding

European Commission
COMP-MICR-CROW-MEM – Computational Microscopy of Crowded Membranes 669723