Multidrug resistance protein P-gp interaction with nanoparticles (fullerenes and carbon nanotube) to assess their drug delivery potential: a theoretical molecular docking study. - Sergey Shityakov; Carola Förster (Int. J. Comput. Biol. Drug Des., 2013)

Analysing molecular polar surface descriptors to predict blood-brain barrier permeation. - Sergey Shityakov; Winfried Neuhaus; Thomas Dandekar; Carola Förster (Int. J. Comput. Biol. Drug Des., 2013)

Characterization, in Vivo Evaluation, and Molecular Modeling of Different Propofol-Cyclodextrin Complexes To Assess Their Drug Delivery Potential at the Blood-Brain Barrier Level. - Sergey Shityakov; Ramin Ekhteiari Salmas; Serdar Durdagi; Ellaine Salvador; Katalin Pápai; Maria Josefa Yáñez-Gascón; Horacio Pérez Sánchez; István Puskás; Norbert Roewer; Carola Förster; Jens-Albert Broscheit (J. Chem. Inf. Model., 2016)

In silico investigation of propofol binding sites in human serum albumin using explicit and implicit solvation models. - Sergey Shityakov; Norbert Roewer; Carola Förster; Jens-Albert Broscheit (Comput. Biol. Chem., 2017)

Modeling of shotgun sequencing of DNA plasmids using experimental and theoretical approaches. - Sergey Shityakov; Elena Bencurova; Carola Förster; Thomas Dandekar (BMC Bioinform., 2020)