"Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for ..."

Lea El-Khoury et al. (2019)

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DOI: 10.1007/S10822-019-00240-W

access: closed

type: Journal Article

metadata version: 2021-10-14

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  - https://dblp.org/rec/journals/jcamd/El-KhourySSEBAS19
Lea El-Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérôme Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, David L. Mobley:
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. 33(12): 1011-1020 (2019)

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