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Computational Biology and Drug Design

Description

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

People

 

Limongelli V.

Course director

Additional information

Semester
Fall
Academic year
2020-2021
ECTS
6
Language
English
Education
Master of Science in Computational Science, Elective course, Lecture, 2nd year