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schrojunzhang / KarmaDock

https://www.nature.com/articles/s43588-023-00511-5
Apache License 2.0
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the meaning of score? #8

Closed songyu2022 closed 11 months ago

songyu2022 commented 11 months ago

Thanks for your works, could you tell me what is the meaning of score? these socres comes from the result of docking. are they IC50, Kd, ki or all of them?

schrojunzhang commented 11 months ago

Hello,

Thank you for your inquiry regarding the nature of the 'score' in the docking results. I would like to clarify that this score is not equivalent to IC50, Kd, or Ki values. Instead, it represents a residue-atom distance likelihood potential.

For a more detailed understanding of this scoring metric, I recommend referring to the research paper which can be accessed via the DOI: 10.1021/acs.jmedchem.2c00991.

Best regards,

Xujun