NBD is involved in the application of computational chemistry tools aimed at accelerating, streamlining and optimizing the design of small molecules in early discovery. In order to perform most of rational small molecule design, NBD is endowed, among a series of different softwares, with one of the most highly regarded platforms in the industry, the Schrodinger suite of programs. This platform allows developing standard cheminformatics and small molecule rational design tasks efficiently and reliably.

However, NBD is additionally deeply engaged in the development of unique, innovative computational chemistry technologies which allow the company to complement the industry standard. These core technologies are designed to tackle a series of current limitations in the field of cheminformatics, ligand-based and structure-based small molecule design, along with nucleic acid probes design.

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NBD experts can tailor an enzyme activity and specificity to your needs. They do so thanks to their proprietary software PELE that maps the interactions between an enzyme and its substrate. Combining quantum mechanics methods and molecular modelling on mutated enzymes candidates allow them to find the perfect enzyme. Uniquely, they can also combine several active sites in one enzyme, into “plurizymes” : This can have tremendous impact on industrial processes. Another recent development at NDB is the work on antibodies as part of a general shift in biomedical treatments.

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