Kvantify has developed a new computational method that can accelerate the early phases of drug discovery.

The method stands out significantly from other solutions on the market and is a strong addition to Kvantify's computational drug discovery platform, Koffee. 

"Currently, benchmark tests show that our binding affinity tool is 100 times faster than comparable state-of-the-art methods with the same level of accuracy," said Hans Henrik Knudsen, CEO of Kvantify. 

Binding affinity is a key parameter in drug discovery that refers to the strength of the interaction between a drug (or molecule) and its target protein. A molecule must interact strongly with a biological target to induce a therapeutic effect, and that is why this calculation is crucial in drug development. 

When designing new drugs, there is a nearly endless number of possible variations and alterations, and that is why speedy and accurate calculations are so important. 

"Matching our speed with high accuracy gives us the option to push accurate physics-based binding affinity calculations further up the drug discovery pipeline," said Hans Henrik Knudsen. 

Not only is the calculation time down to a few minutes, but there are other advantages to Koffee binding affinity. 

"Our method requires no manual setup or parameterization. And as it is fully physics-based, there is no requirement for training data in contrast to machine learning and AI-based methods," said Hans Henrik Knudsen.