Research Areas

Molecular Dynamics, Docking and Virtual Screening

Molecular dynamics (MD) is a computational technique used to study the behavior of molecules over time. By simulating the movements of atoms, scientists can better understand the physical and chemical properties of proteins, nucleic acids, and other biomolecules. Docking is the process of predicting the preferred orientation of one molecule when bound to another to form a stable complex. Virtual screening involves using computational methods to identify potential drug candidates from large libraries of compounds, saving time and resources compared to experimental methods.

Data Mining in Bioinformatics

Data mining in bioinformatics involves applying data science and machine learning techniques to extract valuable information from large biological datasets. This can include analyzing DNA sequences, proteins, gene expression data, and other types of biomolecular data. Data mining helps to discover hidden patterns, significant relationships, and new biological hypotheses, accelerating progress in genetic research, drug development, and other biomedical fields.

Bioinformatics Scientific Workflow

Scientific workflows in bioinformatics are structured processes that combine a series of tools and techniques to perform complex analyses of biological data. These workflows allow for the automation of tasks, from data collection and preprocessing to advanced analyses and result visualization. Utilizing scientific workflows improves the reproducibility and efficiency of research, facilitating the integration of different types of data and analytical methods.

Protein Folding

Protein folding is the process by which a linear chain of amino acids acquires its functional three-dimensional structure. This process is crucial because the shape of a protein determines its biological function. Problems in protein folding can lead to diseases such as Alzheimer's, Parkinson's, and cystic fibrosis. Studies on protein folding aim to understand the molecular mechanisms behind this process and develop strategies to correct misfolding.

Genetic regulatory networks

Genetic regulatory networks are systems of interactions between genes, proteins, and other cellular elements that control gene expression. These complex systems determine how cells respond to different stimuli and are fundamental to biological processes such as development, cellular differentiation, and response to environmental stresses. Studying these networks helps to understand how cells function and to develop therapies for diseases where gene regulation is altered.