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(GPS)3 disordered linker simulations with AMBER99SB-DISP

  • Efstathia Mantzari (Creator)
  • Samuli Ollila (VTT Technical Research Centre of Finland) (Creator)

Dataset

Description

Classical MD simulations of the disordered linker with sequence GPSGPSGPS ((GPS)3) using AMBER99SB-DISP force field, run in water. Five replicas (mentioned as model01,02,03,04,05) were run with five different initial structures generated with IDPconfGen (Teixeira et al. (2022)). 
Date made available22 Aug 2025
PublisherZenodo

Dataset Licences

  • CC-BY-4.0

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