Master in Medicinal and Biopharmaceutical Chemistry

Molecular Modelling

ECTS

4

Learning outcomes

This course provides students with an interdisciplinary training and the necessary skills to produce effective research in computer aided drug design. By the end of the course, students will be expected to demonstrate that they have met the learning objectives by applying those concepts on a total original research project. By the end of the course, students will be expected to demonstrate that they have met the learning objectives by applying those concepts on a total original research project

Syllabus

This course will focus on: Introduction to molecular modelling methodologies (application on the design and development of new drugs); Molecular Visualisation; Build Molecules; Molecular Mechanics and Molecular Dynamics; Molecular Docking; Virtual Screening; Quantum Mechanics; Combined Methods; Modelling enzymatic reactions; Pharmacophore modelling; Homology modelling

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