On the use of one-step perturbation to investigate the dependence of NOE-derived atom-atom distance bound violations of peptides upon a variation of force-field parameters
van Gunsteren, Wilfred F.
- Journal Article
Journal / seriesEuropean biophysics journal : with biophysics letters
Pages / Article No.
SubjectMolecular dynamics (MD) simulation; One-step perturbation; Reweighting; NOE distance bound violations; Peptide
Organisational unit03304 - Van Gunsteren, Wilfred F. (emeritus)
NotesReceived: 23 October 2013, Revised: 13 January 2014, Accepted: 17 January 2014, Published online: 7 February 2014.
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