MOLECULAR MODELLING OF BIOLOGICAL MOLECULES
Academic year2016/17
CourseMOLECULAR BIOTECHNOLOGY
Code110CC
Credits6
PeriodSemester 1
LanguageItalian
| Modules | Area | Type | Hours | Teacher(s) |
| MODELLISTICA MOLECOLARE DI BIOMOLECOLE | CHIM/02 | LEZIONI | 48 | |
Programma non disponibile nella lingua selezionata
Knowledge
The student at the end of the course will be aware of the main computational techniques which can be used to perform (i) a conformational analysis of small and large molecules, (ii) a study of their geometries and properties, and (iii) a simulation of dynamical processes of complex systems.
In addition to the formalism and the basic theoretical understanding, students learn how to run numerical simulations to calculate structural and electronic properties of molecular systems. Both the theoretical aspects of the course and the numerical simulations are designed to make the students able to fully understand the limits and the potentialities of the simulations when compared with experimental data in view of possible biotechnological applications.
Assessment criteria of knowledge
The student will be assessed on his/her demonstrated ability to discuss the main course contents using the appropriate terminology.
The student's ability to critically evaluate the applicability of the various numerical approaches presented in the course will also be assessed.
Methods:
Teaching methods
Delivery: face to face
Learning activities:
- attending lectures
- participation in discussions
- Laboratory work
Attendance: Not mandatory
Teaching methods:
Syllabus
1) A widely used method for the calculation of molecular energies and geometries of large molecular systems: the Molecular Mechanics.
2) Numerical methods used in the conformational analysis of molecular systems of biological interest.
3) The simulation of dynamic processes: the method of molecular dynamics.
4) An introduction to the quantum mechanical methods most widely used in biochemistry: some elements of methods which combine quantum-mechanical and classical approaches.
Bibliography
Recommended reading includes the following works:
1) notes from the professor;
2) selected chapters of the book "Molecular Modelling. Principles and Applications" by A.R. Leach. Prentice Hall, 2001
Updated: 14/11/2016 17:27
