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Last update: prof. Mgr. Lubomír Rulíšek, DSc. (26.06.2019)
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Last update: prof. Mgr. Lubomír Rulíšek, DSc. (19.04.2018)
F. Jensen: Introduction to Computational Chemistry, Wiley, 1999. Christopher J. Cramer: Essentials of Computational Chemistry: Theories and Models, Wiley, 2004. A.R. Leach: Molecular Modelling: Principles and Applications Robert A. Copeland: ENZYMES: A Practical Introduction to Structure, Mechanism, and Data Analysis W. Thiel, H. M. Senn: QM/MM Methods for Biological Systems. Top Curr Chem (2007) 268: 173–290 A. Warshel: Computer Modeling of Chemical Reactions in Enzymes and Solutions, Wiley, 1997. |
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Last update: prof. Mgr. Lubomír Rulíšek, DSc. (26.06.2019)
The exam takes the form of homework assignments at the end of the course and a short oral interview. A student is required to have a deeper understanding of the subject, that is to understand basic principles of enzyme catalysis and chemical reactivity, without the need for detailed knowledge of all equations and their derivation. |
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Last update: prof. Mgr. Lubomír Rulíšek, DSc. (26.06.2019)
1/ Quantum Mechanics: Key Concepts, Methods, and Machinery |