Catalytic Site pKa Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations

Author:

Hofer Florian1,Kraml Johannes1,Kahler Ursula1,Kamenik Anna S.1,Liedl Klaus R.1ORCID

Affiliation:

1. Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80/82, A-6020 Innsbruck, Austria

Funder

Austrian Science Fund

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Reference74 articles.

1. A genomic view of the complexity of mammalian proteolytic systems

2. Introduction:  Proteases

3. Structure and Mechanism of the Pepsin-Like Family of Aspartic Peptidases

4. Serine Protease Mechanism and Specificity

5. Barrett, A. J.; Rawlings, N.; Woessner, J. F. Handbook of Proteolytic Enzymes, 2nd ed. Elsevier Ltd, 2004; Vol. 1, pp 1–1140.

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