title: A consensus view of protein dynamics.
abstract: The dynamics of proteins in aqueous solution has been investigated through a massive approach based on "state of the art" molecular dynamics simulations performed for all protein metafolds using the four most popular force fields (OPLS, CHARMM, AMBER, and GROMOS). A detailed analysis of the massive database of trajectories (>1.5 terabytes of data obtained using approximately 50 years of CPU) allowed us to obtain a robust-consensus picture of protein dynamics in aqueous solution.
authors.affiliation: Molecular Modelling and Bioinformatics Unit, and Structural Biology Node, Institut de Recerca Biomèdica, Parc Científic de Barcelona, Josep Samitier 1-5, 08028 Barcelona, Spain.
authors.forename: Manuel
authors.initials: M
authors.lastname: Rueda
authors.forename: Carles
authors.initials: C
authors.lastname: Ferrer-Costa
authors.forename: Tim
authors.initials: T
authors.lastname: Meyer
authors.forename: Alberto
authors.initials: A
authors.lastname: Pérez
authors.forename: Jordi
authors.initials: J
authors.lastname: Camps
authors.forename: Adam
authors.initials: A
authors.lastname: Hospital
authors.forename: Josep Lluis
authors.initials: JL
authors.lastname: Gelpí
authors.forename: Modesto
authors.initials: M
authors.lastname: Orozco
mesh_terms: D019295:Computational Biology; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular; D011485:Protein Binding; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism*
chemical_list: D011506:Proteins