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