3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
Kristian Rother, Mathias Dunkel, Elke Michalsky, S...
Background: The structure of proteins may change as a result of the inherent flexibility of some protein regions. We develop and explore probabilistic machine learning methods for...
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...