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Lecturer(s)
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Fanfrlík Jindřich, RNDr. Ph.D.
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Lepšík Martin, RNDr. Ph.D.
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Course content
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Content of lectures: Introduction -history and presence of discovery and development of drugs Pharmacology targets, biomolecular structure and interactions with ligands Characteristics of biologically active compounds Noncovalent interactions Docking and scoring Advanced docking and scoring (WaterMap, MM-PBSA, FEP, QM) Rational design in practice Content of practicals: Visualisation, PDB database, PDB files Interactions in protein-ligand complexes, characteristics of ligands Docking and scoring Student mini-project
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Learning activities and teaching methods
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unspecified
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Learning outcomes
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The course aims at teaching knowledge and practical skills with computational methods used in modern drug design.
Getting the knowledge and practical skills with computational methods used in modern drug design.
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Prerequisites
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No requirements
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Assessment methods and criteria
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unspecified
The course is accompanied by PDF presentations which are meant to remind of the topics. Minimum of 50% of piont is required for the succesfull exam.
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Recommended literature
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Povl Krogsgaard-Larsen, Kristian Stromgaard, Ulf Madsen: Textbook of drug design and discovery.
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Young, D.C. Computational Drug Design. Wiley, 2009.
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