Till Siebenmorgen

According to our database, Till Siebenmorgen authored at least 5 papers between 2020 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery.

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

Nat. Comput. Sci., May, 2024

2022

Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes.

Mateusz Marcisz, Margrethe Gaardløs, Krzysztof K. Bojarski, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov

J. Comput. Chem., 2022

2021

Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans.

Martyna Maszota-Zieleniak, Mateusz Marcisz, Malgorzata M. Kogut, Till Siebenmorgen, Martin Zacharias, Sergey A. Samsonov

J. Comput. Chem., 2021

2020

Efficient Refinement and Free Energy Scoring of Predicted Protein-Protein Complexes Using Replica Exchange with Repulsive Scaling.

Till Siebenmorgen, Martin Zacharias

J. Chem. Inf. Model., 2020

Prediction of protein-protein complexes using replica exchange with repulsive scaling.

Till Siebenmorgen, Michael Engelhard, Martin Zacharias

J. Comput. Chem., 2020