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Statistical Prediction and Molecular Dynamics Simulation

We describe a statistical approach to the validation and improvement of molecular dynamics simulations of macromolecules. We emphasize the use of molecular dynamics simulations to calculate thermodynamic quantities that may be compared to experimental measurements, and the use of a common set of ene...

Täydet tiedot

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Bibliografiset tiedot
Päätekijät: Cooke, Ben, Schmidler, Scott C.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: The Biophysical Society 2008
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC2576400/
https://ncbi.nlm.nih.gov/pubmed/18676654
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.131623
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