Modeling of protein conformational changes with Rosetta guided by limited experimental data. Structure, (30)8:1157--1168.e3, Elsevier BV, August 2022. [PUMA: topic_lifescience EPR Rosetta; biology; changes; conformational dynamics; integrative modeling; molecular protein refinement spectroscopy; structural structure]
Improving the modeling of extracellular ligand binding pockets in RosettaGPCR for conformational selection. Int. J. Mol. Sci., (24)9April 2023. [PUMA: topic_lifescience Rosetta; RosettaGPCR; discovery; docking; drug homology ligand modeling; pocket refinement]