OpenFreeEnergy / Lomap

Alchemical mutation scoring map
https://lomap.readthedocs.io
MIT License
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Add CITATION file #11

Open dwhswenson opened 2 years ago

dwhswenson commented 2 years ago

Is this the current preferred citation for LOMAP? https://link.springer.com/article/10.1007/s10822-013-9678-y

(This repo involved rewriting the original OpenEye/Schrödinger based implementation using RDkit; not sure if there's a newer citation for that, or what the preferred citations are.)

IAlibay commented 2 years ago

pinging @davidlmobley - what would be the preferred citation(s) here?

davidlmobley commented 2 years ago

Ah, yes, that's the original one and there has never been an updated pub, so that's the preferred citation.