Till Siebenmorgen

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 5

Top Topics

Protein Complexes

Computational Approaches

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Nat. Comput. Sci.

Publications

Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radoslaw Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian J. Theis, Michael Sattler, Grzegorz M. Popowicz
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nat. Comput. Sci. 4 (5) (2024)
Mateusz Marcisz, Margrethe Gaardløs, Krzysztof K. Bojarski, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov
Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes. J. Comput. Chem. 43 (24) (2022)
Martyna Maszota-Zieleniak, Mateusz Marcisz, Malgorzata M. Kogut, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov
Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans. J. Comput. Chem. 42 (15) (2021)
Till Siebenmorgen, Michael Engelhard, Martin Zacharias
Prediction of protein-protein complexes using replica exchange with repulsive scaling. J. Comput. Chem. 41 (15) (2020)
Till Siebenmorgen, Martin Zacharias
Efficient Refinement and Free Energy Scoring of Predicted Protein-Protein Complexes Using Replica Exchange with Repulsive Scaling. J. Chem. Inf. Model. 60 (11) (2020)