The protein–ligand binding affinity quantifies the binding strength between a protein and its ligand. Computer modeling and simulations can be used to estimate the binding affinity or binding free ...

The problem of studying rare events is central to many areas of computer simulations. We recently proposed an approach to solving this problem that involves computing the committor function, showing ...

Accurate forest volume estimation is crucial for sustainable forest management, but the most commonly used methods often rely on models that may not always be applicable across different tree species ...