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Germano Heinzelmann

2 results in Authors: Germano Heinzelmann

Theoretical and Computational Chemistry

Absolute binding free energy calculations improve enrichment of actives in virtual compound screening

Mudong Feng, Michael Gilson, Germano Heinzelmann

Version 1 posted 11 May 2022

378

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Theoretical and Computational Chemistry

BAT2: An open-source tool for flexible, automated and low cost absolute binding free energy calculations

Germano Heinzelmann, David Huggins, Michael Gilson

Version 2 posted 22 February 2024

933

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