THREE-DIMENSIONAL MODELING

Course objectives

The course aims to provide students with theoretical and practical knowledge related to the application of computational methodologies to the study of complex biological systems, with particular reference to the analysis of omics big data, the use of bioinformatics tools, and the use of molecular dynamics and machine learning techniques. Module 1 - Big Data and Omics Science Knowledge and Understanding Know the basic Unix/Linux shell commands for filesystem management. Become familiar with the basic concepts of genomics and transcriptomics and the main sequencing technologies (first, second and third generation). Understand the organization and content of major biological databases. Ability to apply knowledge and understanding Use shell commands to manipulate files, folders, data streams, and filters (e.g., grep) in big data environments. Apply bioinformatics tools for gene expression analysis, functional annotation, and genomic visualization (e.g., UCSC Genome Browser). Leverage web tools for differential analysis and functional enrichment. Autonomy of judgment Critically evaluate bioinformatics tools, methods, and resources used for omics data analysis. Select the most appropriate strategies for querying, integrating, and analyzing large biological datasets. Communication Skills Effectively present and discuss the results of bioinformatics analyses, using correct scientific terminology and digital communication tools. Learning skills Develop an autonomous and proactive approach to continuous learning in bioinformatics and omics sciences, with emphasis on updating digital resources and databases. Module 3 - Computational Biology and Molecular Dynamics Knowledge and Understanding Gain up-to-date knowledge of computational methodologies for structural analysis of biomolecules, including molecular docking, protein modeling and molecular dynamics. Understand the relationships between protein structure, dynamics and function. Ability to apply knowledge and understanding Use tools for scientific computational sessions and structural analysis of proteins. Model the three-dimensional structure of proteins and simulate the molecular dynamics of soluble and membrane proteins, as well as ligand/protein interactions. Access databases to complete, validate and analyze structural models. Critically interpret simulation results and estimate their biophysical relevance. Autonomy of judgment Independently assess the quality of computational and experimental data. Make informed judgments about the reliability of biological models obtained from simulations or predictions. Communication Skills Communicate methods, results, and conclusions effectively to specialist and non-specialist interlocutors, including in interdisciplinary settings. Learning skills Conduct autonomous computational investigations, including in advanced research settings, while maintaining up-to-date technical and scientific skills.

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ALLEGRA VIA Lecturers' profile

Program - Frequency - Exams

Course program
Different types of Machine Learning. Key concepts: supervised and unsupervised learning, classification, regression and clustering problems, classes and labels, training, validation and testing. Building good training datasets - Data preprocessing Training and test datasets KNN Creating a model Model validation (k-fold cross validation) Hyperparameter tuning Performance evaluation
Prerequisites
A biological or biomedical background. Knowledge of a variety of biological data and questions. For the Programming module, no previous experience is necessary. Familiarity with at least one of the main OS (Linux, Mac OSX, Windows 10) is required. Familiarity with the Google Suite is not a prerequisite but it is advised.
Books
Sebastian Raschka - Introduction to Machine Learning https://sebastianraschka.com/resources/ml-lectures-1/ Further learning materials (including slides, tutorials, videos, notes, and extracts from text books, examples, scripts) will be provided before and during the course by the teacher.
Frequency
The course will be face-to-face and will make use of active and interactive learning approaches to facilitate learning..
Exam mode
Students will be requested to: - Explain the fundamental concepts of ML, with emphasis on the main types of learning (supervised, unsupervised and reinforcement learning), and key notions such as feature, class label, feature selection, training, validation and testing of a model. - Describe and discuss the main steps of an ML process, including: data pre-processing, partitioning into training and test datasets, training and evaluation of the model, and performance improvement by adjusting hyperparameters.
Lesson mode
Learning outcomes (LOs) will guide the design of learning experiences (LEs). For the achievement of each LO, the most appropriate LE(s) will be identified and planned.
  • Academic year2025/2026
  • CourseMedical Biotechnology
  • CurriculumBioingegneristico
  • Year1st year
  • Semester2nd semester
  • SSDBIO/10
  • CFU1