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Computational Biology and Drug Design

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 are 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.

 

 

REFERENCES

  • 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

Raniolo S.

Assistant

Additional information

Semester
Fall
Academic year
2017-2018
ECTS
6
Education
Master of Science in Computational Science, Elective course, Lecture, 2nd year

PhD programme of the Faculty of Informatics, Elective course, Lecture, 1st, 2nd and 3rd year