Precise calculations of binding free energy are pivotal in reducing the high costs and inefficiencies of drug discovery. A ...

Drug discovery is a costly and time-intensive process, with binding free energy calculations between the potential drug ...

The development is expected to accelerate medical research, drug discovery, ... Google’s new quantum computer signals a potential end to the competition with traditional machines and promises ...

A new computational tool could help researchers identify promising drug combinations for treating cancer, according to a new study.

Drug discovery is the process through which potential new medicines are identified. It involves a wide range of scientific disciplines, including biology, chemistry and pharmacology. Large-scale ...

Using patient kidney biopsies, the team developed a new method to measure glycocalyx thickness, confirming that the layer is ...

Approaches including the Molecular Mechanics Poisson Boltzmann Surface Area (MM-PBSA), Linear Interaction Energy (LIE), and alchemical methods have been broadly applied to model molecular recognition ...

Last week, two of the biggest and oldest companies in the burgeoning AI drug discovery space announced a surprise merger. In a roughly 75-25 deal, Recursion Bio and Exscientia will (if the merger ...

This means it will not only identify drug candidates, or small molecules that can potentially be turned into medicines, but also aim to manage the subsequent steps involved in developing new ...

I decided to form Insilico and focus entirely on deep learning for every step of drug discovery and development. We decided not to go small, but to go after a grand goal with a very limited amount ...