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Computational Biology and Drug Design

Descrizione

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

Persone

 

Limongelli V.

Docente titolare del corso

Informazioni aggiuntive

Semestre
Autunnale
Anno accademico
2021-2022
ECTS
6
Lingua
Inglese
Offerta formativa
Master of Science in Computational Science, Corso a scelta, 1° anno
Master of Science in Computational Science, Corso a scelta, 2° anno
Dottorato in Scienze informatiche, Corso a scelta, Corso, 1° anno (4 ECTS)
Dottorato in Scienze informatiche, Corso a scelta, Corso, 2° anno (4 ECTS)