My research is multidisciplinary and based on structural bioinformatics, high performance computing (HPC) and physical chemistry (PC). I have introduced several methodological developments in structural bioinformatics, implementing them in HPC architectures (Supercomputers, GPUs) so that they can be accessed by other researchers either as standalone software packages or web tools. Some of them have been commercialized directly with industry. I have applied these developments directly to structural biology (protein and DNA structure modelling) and drug discovery projects (blood anticoagulants, Parkinson, Alzheimer, cancer, Fabry disease, anti-inflammatories, Zika virus, etc) or for the analysis and interpretation of experimental data from structural biology projects (DNA mutations, formation of complexes, encapsulation processes, food science, ion channels, etc).
Thanks to the structural bioinformatics methodologies (SBM) I have developed and applied, it has been possible to identify and characterize more than 25 bioactive compounds in several contexts of biomedical and biotechnological relevance. In addition, I have been able to analyze and propose useful models for molecular systems of interest in biomedicine and biotechnology such as carbohydrates, proteins and DNA. Main results have been published in 97 ISI indexed scientific articles (9 as first author, 32 as corresponding author, 16 on the first decile and cumulative impact factor = 288), 4 international patents (2 of them licensed), 63 contributions to international conferences and 21 invited talks. I have been awarded with a H2020 technology transfer award and participated in 42 regional, national and international research projects attracting 925.000 € and supercomputing resources (I have been Principal Investigator in 23 of them) and established 5 contracts with industry and academy. I have been continuously financed by many competitive programmes to conduct research in Institutions of recognized prestige. My career has been developed in 3 different countries (Spain, France, Germany) with 11 different fellowships (2 Marie Curie). Currently I am Principal Investigator of the Structural Bioinformatics and High Performance Computing research group (http://bio-hpc.eu, 13 full-time staff) at UCAM. I have obtained teaching accreditation by ANECA for “Profesor Titular” (2016) and two “sexenios” (2002-2007 and 2008-2013) by the CNEAI).