Publications by authors named "Alexander C Brueckner"
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Synopsis of recent research by authors named "Alexander C Brueckner"
- Alexander C Brueckner's recent research primarily focuses on the optimization of peptide ligands and the dynamics of protein-ligand interactions using advanced molecular dynamics simulations and computational methods, aiming to enhance drug discovery processes.
- His notable contributions include the development of an automated workflow for molecular dynamics simulations that utilizes machine learning, which significantly streamlines the analysis of ligand-protein interactions compared to traditional methods.
- Brueckner's work also explores conformational strain in ligands upon binding, revealing its critical impact on binding affinity, and he emphasizes the importance of incorporating NMR data for better understanding and optimization of macrocyclic peptides.
