MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories.

  title={MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories.},
  author={Tim Meyer and Marco D'Abramo and Adam Hospital and Manuel Rueda and Carles Ferrer-Costa and Alberto P{\'e}rez and Oliver Carrillo and Jordi Camps and Carles Fenollosa and Dmitry Repchevsky and Josep Llu{\'i}s Gelp{\'i} and Modesto Orozco},
  volume={18 11},
More than 1700 trajectories of proteins representative of monomeric soluble structures in the protein data bank (PDB) have been obtained by means of state-of-the-art atomistic molecular dynamics simulations in near-physiological conditions. The trajectories and analyses are stored in a large data warehouse, which can be queried for dynamic information on proteins, including interactions. Here, we describe the project and the structure and contents of our database, and provide examples of how it… CONTINUE READING

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