Research team develops universal and accurate method to calculate how proteins interact with drugs

A research team from the Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences / IOCB Prague has developed a novel computational method that can accurately describe how proteins interact with molecules of potential drugs and can do so in a mere tens of minutes. This new quantum-mechanical scoring function can thus markedly expedite the search for new drugs. The research has been published in the journal Nature Communications.