I have contributed to computational and physical chemistry with several methodological developments, implementing them in high performance computing (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 in drug discovery projects (blood anticoagulants, Parkinson, Alzheimer, cancer, Fabry disease, anti-inflammatories, Zika virus, DNA, etc) or for the analysis and interpretation of experimental data (encapsulation processes, ion channels, nutraceuticals, etc). Main results have been published in 74 ISI indexed scientific articles (9 as first author and 25 as corresponding author), 3 international patents (1 of them licensed), 50 contributions to international conferences with 45 peer reviewed computer engineering and bioinformatics conference proceedings (6 as first author and 21 as corresponding author) and 17 invited talks. I have been awarded with the 2016 HiPEAC technology transfer award and participated in 30 research projects attracting around 725.000 € (I have been Principal Investigator in 16 of them, with total funding 327.000 €), and established 4 contracts with industry and academy.
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 (BIO-HPC) research group (13 full-time staff, http://bio-hpc.eu) at UCAM.
I have obtained accreditation by ANECA for Profesor Contratado Doctor (2013) and Profesor Titular (2016) and two “sexenios” (2002-2007 and 2008-2013) by the CNEAI (through the evaluation agreement it has with UCAM). I have advised 2 PhD, 3 Master and 7 Degree students and currently supervise 8 PhD students (2 Industrial Doctorates). I have been coordinator of the Master in Bioinformatics (2012/2013) from UMU, and taught 320 hours in different Degrees (Chemistry, Pharmacy, Medicine and Computer Engineering) and Masters (Bioinformatics, etc).