With the rapidly growing body of biostructural information, structure-based drug design has increased in importance and a variety of computational methods have found a place in the drug discovery toolkit. The de novo design program, SkelGen, was developed by De…
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New Tools for Characterizing Natural Products
Researchers at the University of California in San Diego have developed computational tools that will allow scientists to quickly and easily determine whether newly isolated nonribosomal peptides (NRPs) are novel or already known. NRPs are a diverse family of secondary…
As Numerous as the Stars in the Sky
Maybe not quite as numerous as the stars in the sky, but chemists at the University of Berne have created a database of almost 1 billion drug-like molecules with 13 or fewer heavy atoms. Writing in the Journal of the…
