Credits
This website was developed as part of a research project at the University of Helsinki.
Website Development
This website was designed and developed by Matis Hadet.
Its purpose is to provide an accessible web interface for molecular structure analysis, visualization, fitness scoring, structural comparison, and hotspot analysis.
Scientific Scripts and Algorithms
The scientific scripts and computational algorithms used for molecular analysis were developed by Loïc Dreano.
These tools provide the computational foundation for the fitness scoring, structural comparison, and hotspot analysis available through this website.
For advanced analysis and direct access to the original computational tools, the PyMOL scripts are available here:
Academic Reference
The scientific methodology and computational approaches behind these tools are described in the doctoral research of Loïc Dreano.
Research Group
This project was carried out within the Computational Drug Discovery Group at the University of Helsinki.
The group focuses on computational approaches for drug discovery, including molecular modelling, chemoinformatics, molecular simulations, and the development of computational tools for pharmaceutical research.