Introdução à Simulação Biomolecular

The proposed course aims to introduce students to the field of biomolecular simulation. By the end of this course unit, it is expected that students will:

i) Have acquired theoretical and practical skills concerning protein structure files, techniques used in biomolecule simulation and of protein structure prediction tools.

ii) Understand and master the visualization of 3D protein structures, their preparation, and utilization in molecular simulation.

iii) Gain familiarity with multi-scale computational methods, ranging from quantum mechanics to coarse-grained approaches.

Develop the capability to use protein structures, conduct simulations at the atomistic scale, and analyze the resulting outcomes.