We focus on multidisciplinary research aiming to solve complex biological problems related to protein structure and function, molecular interactions, and gene/protein evolution with in silico methods. Being an interface between chemistry, biology, and information science, our research encompasses the implementation of computational algorithms and software tools to get insights and understand biological processes. Also, we are exploring the modulation mechanism by drugs as well as the discovery and optimization of new active molecules to be utilized in drug discovery.
Key approaches in our research include:
- Protein structure, function, and stability prediction, sequence, and domain analysis
- Machine learning and data mining for large-scale, multidimensional chemical, proteomics, and genomics data sets
- Molecular dynamics simulation of small molecules and bio-macromolecular systems
- Virtual screening of active ligands against protein targets of interest
- Analysis of structure-activity relationships
- Visualization and graphics of biomacromolecules
- Design and implementation of relational databases and software programs
For more information, please visit our website: https://sites.google.com/view/cau-chembioinfo/
