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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. Ligand/protein docking, virtual screening, homology modelling, 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, Andrew R. Leach
  • Understanding Molecular Simulation: From Algorithms to Applications (second edition), Daan Frankel and Berend Smit

People

 

Limongelli V.

Course director

Raniolo S.

Assistant

Additional information

Semester
Fall
Academic year
2016-2017
ECTS
6
Education
Master of Science in Computational Science, Core course, Lecture, 2nd year

PhD programme of the Faculty of Informatics, Elective course, Lecture, 1st and 2nd year (4 ECTS)