COMPUTATIONAL MOLECULAR DESIGN & METABOLOMICS LABORATORY

Our research focuses on Computational Molecular Design and Biomarker Detection in Metabolomics, which involves the development of new algorithms and tools to identify and design molecular structures for the targeted use. Our research is published in international journals of Molecular Structure Design, and are presently being used in the development of clinical biomarkers in both Taiwan and the U.S... The Structure-Based Fragment Hopping For Lead Optimization and Improvement method (U.S. Patent), performs a series of virtual screening for compounds in order to uncover the relationship between quantitative determinations such as physicochemical properties or theoretical molecular descriptors and functions. It furthermore optimizes the compound's structure to improve its activity as well as reduce its toxicity. In addition to NRPB's funding, we have also received commissions to develop new drugs from the BioMedical Technology and Device Research Laboratory, Industrial Technology..

Primary location: Taipei Taiwan