Computational methods have revolutionised drug design by integrating molecular dynamics simulations with advanced free energy calculations. This approach allows researchers to predict binding ...

Scaling laws and similitude methods constitute a fundamental framework in structural dynamics, enabling the accurate prediction of full-scale behaviour from reduced-scale models. By establishing ...

Over the past decade, structural biology has been profoundly transformed by advances in computational power, algorithmic ...

Understanding the structure of proteins is critical for demystifying their functions and developing drugs that target them. To that end, a team of researchers at Brown University has developed a way ...