300177 VO Structural Bioinformatics II (2016S)

Analysis and prediction of protein structural features. Prediction of secondary structure, solvent exposure, and conformational disorder. Prediction of tertiary structure with ab initio methods, homology modelling techniques, and fold recognition approaches. Prediction of protein-protein interactions and of quaternary structures. Molecular mechanics and energy estimation and minimization. Introduction to molecular dynamics. Introduction to machine learning methods with predictive capabilities (artificial neural networks and support vector machines). Comparison and validation of predictive algorithms. Use of free and online software packages.