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"D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction ..."

Sukanya Sasmal, Lea El-Khoury, David L. Mobley (2020)

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DOI: 10.1007/S10822-019-00249-1

access: closed

type: Journal Article

metadata version: 2020-05-30

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  - journals/jcamd/SasmalEM20
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  - https://dblp.org/rec/journals/jcamd/SasmalEM20
Sukanya Sasmal, Lea El-Khoury, David L. Mobley:
D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors. J. Comput. Aided Mol. Des. 34(2): 163-177 (2020)

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