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Simulations of a protein crystal: Explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complex

A 250ns molecular dynamics simulation of the biotin-liganded streptavidin crystal lattice, including cryo-protectant molecules and crystallization salts, is compared to a 250ns simulation of the lattice solvated with pure water. The simulation using detailed crystallization conditions preserves the...

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Bibliographic Details
Main Authors: Cerutti, David S., Le Trong, Isolde, Stenkamp, Ronald E., Lybrand, Terry P.
Format: Artigo
Language:Inglês
Published: 2008
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC2765329/
https://ncbi.nlm.nih.gov/pubmed/18950193
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi800894u
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