Computational structure prediction for antibody-antigen complexes from hydrogen-deuterium exchange mass spectrometry: Challenges and outlook. Front. Immunol., (13):859964, Frontiers Media SA, May 2022. [PUMA: topic_lifescience (HDX-MS); antibody-antigen biology; docking; epitope-paratope exchange hydrogen-deuterium identification; integrative interaction; mass modeling protein-protein spectrometry structural structure]
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]