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Entropic and enthalpic contributions to stereospecific ligand binding from enhanced sampling methods.
J Chem Inf Model. 2014 Jan 27;54(1):151-8. doi: 10.1021/ci4006657. Epub 2014 Jan 9.
J Chem Inf Model. 2014.
PMID: 24372516
Free PMC article.
Molecular dynamics simulation of the crystallizable fragment of IgG1-insights for the design of Fcabs.
Lai B, Hasenhindl C, Obinger C, Oostenbrink C.
Lai B, et al.
Int J Mol Sci. 2014 Jan 2;15(1):438-55. doi: 10.3390/ijms15010438.
Int J Mol Sci. 2014.
PMID: 24451126
Free PMC article.
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Creating stable stem regions for loop elongation in Fcabs - insights from combining yeast surface display, in silico loop reconstruction and molecular dynamics simulations.
Hasenhindl C, Lai B, Delgado J, Traxlmayr MW, Stadlmayr G, Rüker F, Serrano L, Oostenbrink C, Obinger C.
Hasenhindl C, et al. Among authors: lai b.
Biochim Biophys Acta. 2014 Sep;1844(9):1530-40. doi: 10.1016/j.bbapap.2014.04.020. Epub 2014 May 2.
Biochim Biophys Acta. 2014.
PMID: 24792385
Free PMC article.
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