Author

G. Heinzelmann

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biochemistry· 1

Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 1 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:protein structure· 1 Research Focus:software / tool· 1 Approach:statistical model· 1

Frequent Co-Authors

M. K. Gilson· 1 shared

Activity by Year

2020-2020 · peak 1/yr

1 paper

Recent·Most cited

Automated docking refinement and virtual compound screening with absolute binding free energy calculations

G. Heinzelmann, M. K. Gilson

The paper introduces BAT.py, a tool for automated binding free energy calculations to refine docking and screen compounds, showing it is cost-effective and high-throughput.

bioRxiv · Apr 15, 2020Biochemistry