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Journal of Chemical Theory and Computation|November 25, 2020
Performance of Markov State Models and Transition Networks on Characterizing Amyloid Aggregation Pathways from MD DataAlexander-Maurice Illig, Birgit StrodelJournal of Chemical Information and Modeling|August 1, 2024
Evolutionary Probability and Stacked Regressions Enable Data-Driven Protein Engineering with Minimized Experimental EffortAlexander-Maurice Illig, Niklas E Siedhoff, Mehdi D Davari, et al.Journal of Chemical Information and Modeling|July 14, 2021
PyPEF-An Integrated Framework for Data-Driven Protein EngineeringNiklas E Siedhoff, Alexander-Maurice Illig, Ulrich Schwaneberg, et al.Chemsuschem|June 12, 2025
KnowVolution Of An Efficient Polyamidase Through Molecular Dynamics Simulations Of Incrementally Docked Oligomeric SubstratesHendrik Puetz, Alexander-Maurice Illig, Mariia Vorobii, et al.Methods in Molecular Biology (Clifton, N.J.)|February 15, 2022
Molecular Dynamics Simulations of Protein Aggregation: Protocols for Simulation Setup and Analysis with Markov State Models and Transition NetworksSuman Samantray, Wibke Schumann, Alexander-Maurice Illig, et al.RSC Chemical Biology|May 19, 2025
Exploring sequence- and structure-based fitness landscapes to enhance thermal resistance and activity of endoglucanase II with minimal experimental effortAtul Kumar, Alexander-Maurice Illig, Nicolas de la Vega Guerra, et al.Pageof 1