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Lin, Zhixiong
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Oostenbrink, Chris
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van Gunsteren, Wilfred
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Molecular dynamics (MD) simulation
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NOE distance bound violations
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One-step perturbation
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Peptide
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Reweighting
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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
Lin, Zhixiong
;
Oostenbrink, Chris
;
van Gunsteren, Wilfred
In: European Biophysics Journal, 2014, vol. 43, no. 2-3, p. 113-119