The ruggedness of protein–protein energy landscape and the cutoff for 1/rn potentials
AUTOR(ES)
Ruvinsky, Anatoly M.
FONTE
Oxford University Press
RESUMO
Motivation: Computational studies of the energetics of protein association are important for revealing the underlying fundamental principles and for designing better tools to model protein complexes. The interaction cutoff contribution to the ruggedness of protein–protein energy landscape is studied in terms of relative energy fluctuations for 1/rn potentials based on a simplistic model of a protein complex. This artificial ruggedness exists for short cutoffs and gradually disappears with the cutoff increase.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=2672625Documentos Relacionados
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