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ricalessandri / Martini3-small-molecules

Martini 3 small-molecule database
https://doi.org/10.1002/adts.202100391
Apache License 2.0
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Piperidine model improvements #11

Open ricalessandri opened 2 years ago

ricalessandri commented 2 years ago

The piperidine model can be improved. Bead should probably better be SN5. Details coming soon.