Otava, a chemical and drug-discovery company, has released a set of 80 protein kinase-focused libraries.
Victor Matyushok, chief executive officer, said: 'To prepare these focused libraries, our experts have implemented a number of crucial improvements of a calculation algorithm, which include the calculation of atom charges as well as unique force-field and scoring functions.
'Our goal is to cover all possible protein kinase targets for which crystal structures are resolved,' he added.
A core of the focused library preparation algorithm is flexible receptor-ligand docking.
Each library is based on the company's in-house collection of about 500,000 compounds.
