Using one-step perturbation to predict the effect of changing force-field parameters on the simulated folding equilibrium of a beta-peptide in solution

Zhixiong Lin, Haiyan Liu, Wilfred F. van Gunsteren. Using one-step perturbation to predict the effect of changing force-field parameters on the simulated folding equilibrium of a beta-peptide in solution. Journal of Computational Chemistry, 31(13):2419-2427, 2010. [doi]

Authors

Zhixiong Lin

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Haiyan Liu

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Wilfred F. van Gunsteren

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