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Items: 2

1.

Overview of the SAMPL6 host-guest binding affinity prediction challenge.

Rizzi A, Murkli S, McNeill JN, Yao W, Sullivan M, Gilson MK, Chiu MW, Isaacs L, Gibb BC, Mobley DL, Chodera JD.

J Comput Aided Mol Des. 2018 Oct;32(10):937-963. doi: 10.1007/s10822-018-0170-6. Epub 2018 Nov 10.

PMID:
30415285
2.

Molecular Containers Bind Drugs of Abuse in Vitro and Reverse the Hyperlocomotive Effect of Methamphetamine in Rats.

Ganapati S, Grabitz SD, Murkli S, Scheffenbichler F, Rudolph MI, Zavalij PY, Eikermann M, Isaacs L.

Chembiochem. 2017 Aug 17;18(16):1583-1588. doi: 10.1002/cbic.201700289. Epub 2017 Jul 12.

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