Skip to Content

Search

You searched for: Rights "https://opensource.org/licenses/GPL-3.0" Remove constraint Rights: "https://opensource.org/licenses/GPL-3.0"

Search Results

  1. Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space [data and software] [Download]

    Title: Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space [data and software]
    Contributors: Creator: Degiacomi, Matteo (Durham University, UK)
    Contact person: Degiacomi, Matteo (Durham University, UK)
    Data collector: Degiacomi, Matteo (Durham University, UK)
    Data curator: Degiacomi, Matteo (Durham University, UK)
    Editor: Degiacomi, Matteo (Durham University, UK)
    Description: This work features generative neural networks (autoencoders) trained on protein structures produced by molecular simulations. Autoencoders are used to obtain new, plausible conformations complementing and extending pre-existing ones, usable in a protein-protein docking scenario.
    Keywords: molecular modelling, deep learning, molecular dynamics, proteins
    Date Uploaded: 11 March 2019