Sistemas Informáticos Europeos, is a company that has almost 30 years of experience in the computing sector and 20 in the field of High Performance Computing (HPC), focused on Scientific Calculation.
The Bioinformatics Structural and High Performance Computing (BIO-HPC) research group (http://bio-hpc.eu ) of the UCAM (www.ucam.edu) focuses on:
A) The development of advanced computational drug discovery methodologies on High Performance Computing (HPC) architectures.
B) The application of techniques in said development and focused on several specific contexts in the discovery of bioactive compounds for the pharmaceutical and chemical industry, among others.
Both entities are working jointly with ”Informática El Corte Inglés” to bring the SIE Ladon Pharma, SIE Ladon Química and SIE Ladon Agroalimentaria solutions to the industrial market. Three sectoral systems focused on providing a quick and turnkey solution in these 3 scenarios, in order to go a step further in HPC solutions.
BIO-HPC's research is multidisciplinary and is based on structural bioinformatics, high performance computing (HPC) and physical chemistry (PC). The Catholic University of Murcia has introduced several methodological developments in structural bioinformatics, implementing them in HPC architectures (supercomputers, GPUs) so that other researchers canThey are accessed as stand-alone software packages or web tools. Some of them have been marketed directly in the industry. They have been applied to structural biology (modeling of DNA and protein structures) and drug discovery projects (blood anticoagulants, Parkinson's, Alzheimer's, cancer, Fabry disease, anti-inflammatories, Zika virus, etc.) or for analysis and interpretation of experiments and data from structural biology projects (DNA mutations, complex formation, encapsulation processes, food science, ion channels, etc.).
Thanks to the developments of BIO-HPC, it has been possible to identify and characterize more than 25 bioactive compounds in various contexts of biomedical and biotechnological relevance. It has also been possible to analyze and propose useful models for molecular systems of interest in biomedicine and biotechnology, such as carbohydrates, proteins and DNA. The main results have been published in more than 100 scientific articles indexed by ISI (16 in the first decile, such as Nature Chemical Biology), and 4 international patents have been obtained (2 of them licensed). They have been awarded two H2020 technology transfer awards and have participated in more than 50 regional, national and international research projects attracting more than 1,5 million euros and supercomputing resources.
OFFERED ASSETS
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Contract-based research services to pharmaceutical, food, chemical and biotechnology companies for the discovery and optimization of new bioactive compounds, with special interest in compound repositioning. For this purpose, we use both developed software and standard academic and commercial software (Gromacs, Gaussian, Maestro, etc.).
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Technique of blind docking, which performs an exhaustive search on the entire surface of the receptor molecule, being able to discover new binding points, thus surpassing the classical coupling methods. This technique is not directly available in major commercial computational chemistry programs (Schrodinger Master, Inc., etc.) o Cloud version: A limited version of the technique can be freely tested at: https://bio-hpc.ucam.edu/achilles
These services are complemented by the incorporation of RCUDA, a system developed by the Polytechnic University of Valencia, which makes it possible to virtualize GPUs for calculation, thus making it possible to take advantage of the range of Tesla products that, due to their cost, need to be amortized more. effectively. Added to the consumption savings that this entails.
Likewise, we have cheaper systems based on RTX cards, valid for performing simple precision calculations, which are usually the usual ones in the sector. These services are complemented by the incorporation of RCUDA, a system
developed by the Polytechnic University of Valencia, which makes it possible to virtualize GPUs for computing, thus making it possible to take advantage of the range of Tesla products that, due to their cost, need to be amortized more effectively. Added to the consumption savings that this entails.
Finally, we want to inform you that SIE Ladon BIO, within which we bring together the 3 sectors, will be available in two versions:
- SIE Ladon BIO WS: Based on 2 workstations directly connected by Infiniband EDR or HDR, low latency network at 100 and 200 Gb/s respectively, focused on small environments in laboratories and offices. This solution provides a very reasonable price and the possibility of having a low noise system (less than 20 dB) suitable for installation in any facility.
- SIE Ladon CL: Based on a server and as many nodes as the client needs, interconnected by a low latency network through a switch and as previously mentioned features. These systems, designed to be installed in CPDs, can have more than 4.000 cores working in parallel, to support large workloads.
SIE Ladon CL: Based on a server and as many nodes as the client needs, interconnected by a low latency network through a switch and as previously mentioned features. These systems, designed to be installed in CPDs, can have more than 4.000 cores working in parallel, to support large workloads.In all cases, the systems can be accessed in the classic way by SSH or through simple web interfaces developed ad hoc for the industry.