Scrutinizing MHC-I Binding Peptides and Their Limits of Variation. - Christian P. Koch; Anna Maria Perna; Max Pillong; Nickolay K. Todoroff; Paul Wrede; Gerd Folkers; Jan A. Hiss; Gisbert Schneider (PLoS Comput. Biol., 2013)

Targeting flexibility: a structure-based computational study revealing allosteric HIV-1 protease inhibitors. - Jens Kunze; Nickolay Todoroff; Tiago Rodrigues; Petra Schneider; Gisbert Schneider (J. Cheminformatics, 2014)

Targeting Dynamic Pockets of HIV-1 Protease by Structure-Based Computational Screening for Allosteric Inhibitors. - Jens Kunze; Nickolay Todoroff; Petra Schneider; Tiago Rodrigues; Tim Geppert; Felix Reisen; Herman Schreuder; Joachim Saas; Gerhard Hessler; Karl-Heinz Baringhaus; Gisbert Schneider (J. Chem. Inf. Model., 2014)