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Stereochemical errors and their implications for molecular dynamics simulations

BACKGROUND: Biological molecules are often asymmetric with respect to stereochemistry, and correct stereochemistry is essential to their function. Molecular dynamics simulations of biomolecules have increasingly become an integral part of biophysical research. However, stereochemical errors in biomo...

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Detalhes bibliográficos
Main Authors: Schreiner, Eduard, Trabuco, Leonardo G, Freddolino, Peter L, Schulten, Klaus
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3124434/
https://ncbi.nlm.nih.gov/pubmed/21605430
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-12-190
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