Paper Citing NAMD - Abstract
Rueda, Manuel; Ferrer-Costa, Caries; Meyer, Tim; Perez, Alberto; Camps, Jordi; Hospital, Adam; Gelpi, Josep Lluis; Orozco, Modesto
A consensus view of protein dynamics
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 104:796-801, JAN 16 2007
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 approximate to 50 years of CPU) allowed us to obtain a robust-consensus picture of protein dynamics in aqueous solution.
