A consensus view of protein dynamics.
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ABSTRACT:
SUBMITTER: Rueda M
PROVIDER: S-EPMC1783393 | biostudies-literature | 2007 Jan
REPOSITORIES: biostudies-literature
Publications
A consensus view of protein dynamics.
Rueda Manuel M Ferrer-Costa Carles C Meyer Tim T Pérez Alberto A Camps Jordi J Hospital Adam A Gelpí Josep Lluis JL Orozco Modesto M
Proceedings of the National Academy of Sciences of the United States of America 20070110 3
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. ...[more]
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