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A consensus view of protein dynamics
- Source :
- Proceedings of the National Academy of Sciences. 104:796-801
- Publication Year :
- 2007
- Publisher :
- Proceedings of the National Academy of Sciences, 2007.
-
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 ≈50 years of CPU) allowed us to obtain a robust-consensus picture of protein dynamics in aqueous solution.
- Subjects :
- Models, Molecular
Protein Folding
Multidisciplinary
OPLS
Protein Conformation
Chemistry
Protein dynamics
Computational Biology
Proteins
Crystallography, X-Ray
Molecular dynamics
Protein structure
Computational chemistry
Physical Sciences
Computer Simulation
Protein folding
Statistical physics
Nuclear Magnetic Resonance, Biomolecular
Protein Binding
Subjects
Details
- ISSN :
- 10916490 and 00278424
- Volume :
- 104
- Database :
- OpenAIRE
- Journal :
- Proceedings of the National Academy of Sciences
- Accession number :
- edsair.doi.dedup.....bd237808bd21281fb3dd4fd066b1a359
- Full Text :
- https://doi.org/10.1073/pnas.0605534104