Exploring aromatic cage flexibility of the histone methyllysine reader protein Spindlin1 and its impact on binding mode prediction: an in silico study. - Chiara Luise; Dina Robaa; Wolfgang Sippl (J. Comput. Aided Mol. Des., 2021)

Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study. - Fady Baselious; Dina Robaa; Wolfgang Sippl (Comput. Biol. Medicine, 2023)

Exploring Aromatic Cage Flexibility Using Cosolvent Molecular Dynamics Simulations─An In-Silico Case Study of Tudor Domains. - Christopher Vorreiter; Dina Robaa; Wolfgang Sippl (J. Chem. Inf. Model., 2024)

HADDOCK-Guided modeling and molecular simulations of cereblon-based ternary complexes: Development of novel PROTACs for Ataxia telangiectasia and RAD3-Related (ATR) kinase. - Anne-Christin Sarnow; Husam Nassar; Abdallah M. Alfayomy; Dina Robaa; Wolfgang Sippl (Comput. Biol. Medicine, 2025)