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Molecular dynamics simulation of Escherichia coli dihydrofolate reductase and its protein fragments: Relative stabilities in experiment and simulations

We have carried out molecular dynamics simulations of the native dihydrofolate reductase from Escherichia coli and several of its folded protein fragments at standard temperature. The simulations have shown fragments 1–36, 37–88, and 89–159 to be unstable, with a C(α)RMSD (C(α) root mean squared dev...

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Autori principali: Sham, Yuk Yin, Ma, Buyong, Tsai, Chung-Jung, Nussinov, Ruth
Natura: Artigo
Lingua:Inglês
Pubblicazione: Cold Spring Harbor Laboratory Press 2001
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2249846/
https://ncbi.nlm.nih.gov/pubmed/11266602
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