Alexander-Maurice Illig

Performance of Markov State Models and Transition Networks on Characterizing Amyloid Aggregation Pathways from MD Data

Alexander-Maurice Illig, Birgit Strodel · Journal of Chemical Theory and Computation · 2020 · 37 citations

PyPEF—An Integrated Framework for Data-Driven Protein Engineering

Niklas E. Siedhoff, Alexander-Maurice Illig, Ulrich Schwaneberg et al. · Journal of Chemical Information and Modeling · 2021 · 36 citations

Molecular Dynamics Simulations of Protein Aggregation: Protocols for Simulation Setup and Analysis with Markov State Models and Transition Networks

Suman Samantray, Wibke Schumann, Alexander-Maurice Illig et al. · Methods in molecular biology · 2022 · 32 citations

Engineering, Protein Aggregation, Protein Folding +13

A hybrid model combining evolutionary probability and machine learning leverages data-driven protein engineering

Alexander-Maurice Illig, Niklas E. Siedhoff, Ulrich Schwaneberg et al. · 2022 · 11 citations · Full text

Engineering, Machine Learning, Molecular Biology +21

Molecular dynamics simulations of protein aggregation: protocols for simulation setup and analysis with Markov state models and transition networks

Suman Samantray, Wibke Schumann, Alexander-Maurice Illig et al. · 2020 · 10 citations · Full text