Molecular dynamics simulations reveal insight into key structural elements of aaptamines as sortase inhibitors with free energy calculations

Title
Molecular dynamics simulations reveal insight into key structural elements of aaptamines as sortase inhibitors with free energy calculations
Authors
Keywords
-
Journal
CHEMICAL PHYSICS LETTERS
Volume 585, Issue -, Pages 171-177
Publisher
Elsevier BV
Online
2013-08-31
DOI
10.1016/j.cplett.2013.08.097

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