Speeding up Drug Discovery by combining
outstanding molecular modeling tools
NBD is highly specialised in providing custom-made services and cutting-edge in silico technologies to Biopharmaceutical and Biotechnology companies, CROs and Academia in order to perform rational drug design.
With our proprietary technologies, we can help your research projects to be more focused and targeted. Your team will save time and money by reducing the experimental workload and all the associated costs (reagents, cell cultures, screening equipment, personnel…).
Rational molecular design
NBD expertise resides in the application of computational chemistry tools aimed at accelerating, streamlining and optimizing the design of small molecules in early discovery. To this aim we created PELEplat, a software platform combining multiple proprietary modeling solutions (PELE, FragPELE, AquaPELE, Adaptive-PELE, PELE-MD/QM and AI tools) and non-proprietary technologies (Schrödinger, AMBER2020…). These core technologies are designed to tackle a series of current limitations in the field of chemoinformatics and computer-aided drug design.
The complexity and elevated cost that Drug Development originates already in the early phases of preclinical studies, it is very difficult to recover from the wrong lead. Through our proprietary technologies complemented with third-party software, NBD provides customized services and technologies adapted to all kinds of needs and budgets for accelerating and accurating the preclinical drug discovery.
Contract Research Organizations deal with the same issues as Biopharmaceutical companies: the low efficiency when discovering and optimizing hits for new therapeutic targets. Computational chemistry tools combined with one of the most powerful simulation-based platforms for biomolecular modeling (PELE), allows a faster and more efficient yield in the discovery and optimization steps of the preclinical phases.
Research groups from Universities and Research Centers are often encouraged to not publish new discoveries in order to look for a patentable new chemical entity that can have a therapeutic action to a given target. Due to funding constraints, screenings must be focused on a limited number of compounds. NBD offers flexible services to promote and accelerate academic DD programs.
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Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit as a Test Case.
Extensive benchmark of rDock as a peptide-protein docking tool.
Challenges of docking in large, flexible and promiscuous binding sites.