Gerhard König
16PUBLICATIONS
41CO-AUTHORS
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Publications (16)
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|Aug 27, 2025
Basic Stability Tests of Machine Learning Potentials for Molecular Simulations in Computational Drug Discovery.Kavindri Ranasinghe, Adam L Baskerville, Geoffrey P F Wood
|Aug 27, 2025
Optimizing Absolute Binding Free Energy Calculations for Production Usage.Zhiyi Wu, Gerhard Konig, Stefan Boresch
|Jan 03, 2025
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein-Ligand Binding Free Energies.Johannes Karwounopoulos, Mateusz Bieniek, Zhiyi Wu
|Nov 11, 2024
Understanding the Catalytic Efficiency of Two Polyester Degrading Enzymes: An Experimental and Theoretical Investigation.Matilda Clark, Konstantinos Tornesakis, Gerhard König
|Oct 28, 2023
Investigation of the Impact of Saccharides on the Relative Activity of Trypsin and Catalase after Droplet and Spray Drying.Johanna Dieplinger, Christina Moser, Gerhard König
|Feb 22, 2023
Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.Luisana Avilan, Bruce R Lichtenstein, Gerhard König
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Frequent Collaborators
6 joint publications
Sereina Riniker
3 joint publications
Philippe H Hünenberger
3 joint publications
Andrew R Pickford
2 joint publications
Walter Thiel
2 joint publications
Bruce R Lichtenstein
2 joint publications
Gregg T Beckham
2 joint publications
Zhiyi Wu
2 joint publications
John E McGeehan
2 joint publications
Benjamin Ries
1 joint publications
Manfred T Reetz
