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Characterizing Protease Specificity: How Many Substrates Do We Need?
Schauperl M, Fuchs JE, Waldner BJ, Huber RG, Kramer C, Liedl KR. Schauperl M, et al. Among authors: waldner bj. PLoS One. 2015 Nov 11;10(11):e0142658. doi: 10.1371/journal.pone.0142658. eCollection 2015. PLoS One. 2015. PMID: 26559682 Free PMC article.
Binding Pose Flip Explained via Enthalpic and Entropic Contributions.
Schauperl M, Czodrowski P, Fuchs JE, Huber RG, Waldner BJ, Podewitz M, Kramer C, Liedl KR. Schauperl M, et al. Among authors: waldner bj. J Chem Inf Model. 2017 Feb 27;57(2):345-354. doi: 10.1021/acs.jcim.6b00483. Epub 2017 Feb 1. J Chem Inf Model. 2017. PMID: 28079371 Free PMC article.
Electrostatic recognition in substrate binding to serine proteases.
Waldner BJ, Kraml J, Kahler U, Spinn A, Schauperl M, Podewitz M, Fuchs JE, Cruciani G, Liedl KR. Waldner BJ, et al. J Mol Recognit. 2018 Oct;31(10):e2727. doi: 10.1002/jmr.2727. Epub 2018 May 22. J Mol Recognit. 2018. PMID: 29785722 Free PMC article.
Protease Inhibitors in View of Peptide Substrate Databases.
Waldner BJ, Fuchs JE, Schauperl M, Kramer C, Liedl KR. Waldner BJ, et al. J Chem Inf Model. 2016 Jun 27;56(6):1228-35. doi: 10.1021/acs.jcim.6b00064. Epub 2016 Jun 9. J Chem Inf Model. 2016. PMID: 27247997 Free PMC article.
Enthalpic and Entropic Contributions to Hydrophobicity.
Schauperl M, Podewitz M, Waldner BJ, Liedl KR. Schauperl M, et al. Among authors: waldner bj. J Chem Theory Comput. 2016 Sep 13;12(9):4600-10. doi: 10.1021/acs.jctc.6b00422. Epub 2016 Aug 16. J Chem Theory Comput. 2016. PMID: 27442443 Free PMC article.
12 results