Dr. Gregorio Joaquín Fernández

Professor of Biochemistry and Molecular Biology at the Miguel Hernández University (UMH)

The research work has focused mainly on the study of the conformation of proteins, both soluble and membrane, and related conformational changes after interaction with effectors or other proteins. In the last 20 years the researcher has specialized in the computational design of proteins and the development of methodologies to predict «in silico» protein-protein and protein-organic interactions at the soluble interaction domain level, being able to extend these predictions to the entire genome of specific species. Most of the predictions made thus far have been gathered in a database of own elaboration, ADAN, (, in collaboration with the CRG (Barcelona), where the predictions of domain-ligand interaction of a good number of soluble domains are stored. The predictions are based in the construction of position-specific scoring matrices derived from protein-ligand complexes, either protein or peptide. This methodology can be used on any protein under study having a ligand complex structure deposited in the databases. In fact, it has been used to improve the affinity and specificity of already known ligands, or as a tool to predict putative ligands of proteins of interest. In addition, the researcher has specialized in the use of methodologies virtual screening, docking, and molecular dynamics that are commonly used to predict effectors of proteins from natural libraries of organic compounds. The libraries are precalculated to obtain the ADMET parameters, classified with artificial intelligence algorithms (SVM), and used to screen the binding pockets of the protein of interest, to discover new molecules or new roles
for already known molecules.

Proof of everything mentioned here are publications in highimpact magazines, book chapters, communications to congresses, conferences and patents generated in recent years. The publications also denote a high degree of interaction with other local, national and international research groups. The participation in contracts with private companies or foundations has contributed to the dissemination and application of results and the consequent technology transfer, deriving in several international patents.

The technical specialization achieved throughout this period has allowed me to organize and manage the Structural Biocomputation Unit for massive computation in the Institute for Research Development and Innovation in Health Biotechnology (IDiBE) at Elche, Miguel Hernández University. In relation to management, I have held management positions as Secretary of the Center for Molecular and Cellular Biology during the period that led to the transforma tion from Center to Research Institute. I have also held the position of Secretary of the Department of Molecular and Cellular Biology, in the period 2011-2015. Since June 2015 I have been responsible for Degree in Biotechnology, as Vicedean of the Faculty of Experimental Sciences.