Nano]°[Biostructures Research Group

The Nano]°[Biostructures Research Group is part of Experimental and Molecular Medicine Unit at the Institute for Obesity Research, Tecnologico de Monterrey. Our research group combines computational chemistry, cheminformatics, molecular modeling, and scientific software development to investigate therapeutic targets and bioactive compounds relevant to metabolic regulation, mitochondrial function, obesity, and related disorders. This portfolio presents the current projects developed to support reproducible and traceable molecular research.

Our logo reflects molecular organization and connectivity within chemical space.

Python Packages

Name	Description	Resources
CHAMANP	Natural Product Molecular Annotation and Curation Toolkit	PyPI · Zenodo
HARMONSMILE	Molecular Structure Harmonizer	PyPI · Zenodo
HDDFLYZER	High-Dimensional Descriptor-Based Feature Space Analyzer	PyPI · Zenodo
MELITE	Multi-Model Classifier Evaluator	PyPI · Zenodo
MOLRAPTOR	Molecular Fingerprint Rapid Generator	PyPI · Zenodo

Local Application

ChemVault — Target-Centered Bioactivity Dataset Curation from PubChem.

Online Services

LigandHub — Cheminformatics Workflow Platform.

Tutorials

NumPy Tutorial — An introductory tutorial to NumPy covering linear algebra, testing, and debugging code in Python.
ChemInformatics Tutorial — An introductory tutorial to Cheminformatics tools with excercises.
AutoDock Tutorial — An introductory tutorial to AutoDock Vina covering the basics of molecular docking and result analysis.

Profiles & Links