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Computational Biology and Drug Design

Description

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

Teaching method: 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

People

 

Limongelli V.

Course director

Additional information

Semester
Fall
Academic year
2021-2022
ECTS
6
Language
English
Education
Master of Science in Computational Science, Elective course, 1st year
Master of Science in Computational Science, Elective course, 2nd year
PhD programme of the Faculty of Informatics, Elective course, Lecture, 1st year (4 ECTS)
PhD programme of the Faculty of Informatics, Elective course, Lecture, 2nd year (4 ECTS)