Modeling of Peptide Hydrolysis by Thermolysin. A Semiempirical and QM/MM Study
- 11 August 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 120 (34), 8825-8833
- https://doi.org/10.1021/ja981650u
Abstract
No abstract availableKeywords
This publication has 62 references indexed in Scilit:
- The Hydrolysis Mechanism of Formamide Revisited: Comparison Between ab initio, Semiempirical and DFT ResultsJournal of Molecular Modeling, 1997
- Hydration and Water Exchange of Zinc(II) Ions. Application of Density Functional TheoryJournal of the American Chemical Society, 1997
- A Combined Quantum/Classical Molecular Dynamics Study of the Catalytic Mechanism of HIV ProteaseJournal of Molecular Biology, 1996
- The pKa of the zinc-bound water in carbonic anhydrase and its model compounds as studied by the AM1 calculation coupled with a reaction field theoryThe Journal of Physical Chemistry, 1995
- A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid WaterJournal of Molecular Modeling, 1995
- Insights into Chorismate Mutase Catalysis from a Combined QM/MM Simulation of the Enzyme ReactionJournal of the American Chemical Society, 1995
- Water dimer in liquid waterTheoretical Chemistry Accounts, 1992
- Theoretical study of neutral and of acid and base-promoted hydrolysis of formamideThe Journal of Physical Chemistry, 1992
- Functional zinc-binding motifs in enzymes and DNA-binding proteinsFaraday Discussions, 1992
- Computational models for proton transfer in biological systemsInternational Journal of Quantum Chemistry, 1990