Computational Biology and Drug Design
Persone
Docente titolare del corso
Descrizione
This course will not be offered in the academic year 2020/21
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COURSE OBJECTIVES
Basic knowledge of chemistry Basic knowledge of biology and pharmacology Good knowledge of structure-based drug design Good knowledge of molecular simulations in pharmacology (drug/molecular target interaction)
COURSE DESCRIPTION
The course provides knowledge to deal with calculations of biological interest. Principles of biology and chemistry are delivered together with a deep understanding of the methods used to compute chemico/physical properties of molecules such as organic and peptidic ligands, proteins and nucleic acids. Standard and advanced computational techniques are described in details and many applications illustrated. Molecular dynamics, free-energy calculations are some examples. Great attention is dedicated to the application of these methods in drug design through rational approaches and more automated protocols.
LEARNING METHODS
Frontal lectures + tutorial sessions
EXAMINATION INFORMATION
The course will be evaluated through assignments and a final project
REFERENCES
- Slides and notes from the course
Suggested (not mandatory) books
- Molecular Modeling: Principles and Applications Author: Adrew R. Leach
- Understanding Molecular Simulation: From Algorithms to Applications (second edition) Authors: Daan Frankel and Berend Smit
Offerta formativa
- Master of Science in Computational Science, Corso a scelta, Corso, 2° anno