We dedicate this work to the memory of Jörg Keldenich: experimentalist and pioneer for PK/PD and ADME/Tox modelling at Bayer. Metabolism is a signature of living systems, and enables organisms to ...
Researchers are left with the challenge of predicting how strongly a potential drug molecule will bind to its target, so ...
Drug discovery is a costly and time-intensive process, with binding free energy calculations between the potential drug molecule and the target being crucial for reducing drug discovery costs, ...
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