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Heteroaromatic π-stacking energy landscapes.
Huber RG, Margreiter MA, Fuchs JE, von Grafenstein S, Tautermann CS, Liedl KR, Fox T. Huber RG, et al. Among authors: von grafenstein s. J Chem Inf Model. 2014 May 27;54(5):1371-9. doi: 10.1021/ci500183u. Epub 2014 May 9. J Chem Inf Model. 2014. PMID: 24773380 Free PMC article.
Cleavage entropy as quantitative measure of protease specificity.
Fuchs JE, von Grafenstein S, Huber RG, Margreiter MA, Spitzer GM, Wallnoefer HG, Liedl KR. Fuchs JE, et al. Among authors: von grafenstein s. PLoS Comput Biol. 2013 Apr;9(4):e1003007. doi: 10.1371/journal.pcbi.1003007. Epub 2013 Apr 18. PLoS Comput Biol. 2013. PMID: 23637583 Free PMC article.
Entropy from state probabilities: hydration entropy of cations.
Huber RG, Fuchs JE, von Grafenstein S, Laner M, Wallnoefer HG, Abdelkader N, Kroemer RT, Liedl KR. Huber RG, et al. Among authors: von grafenstein s. J Phys Chem B. 2013 May 30;117(21):6466-72. doi: 10.1021/jp311418q. Epub 2013 May 20. J Phys Chem B. 2013. PMID: 23651109 Free PMC article.
26 results