Agamemnon Krasoulis, Nick Antonopoulos, Vassilis Pitsikalis, Stavros Theodorakis. DENVIS: Scalable and High-Throughput Virtual Screening Using Graph Neural Networks with Atomic and Surface Protein Pocket Features. Journal of Chemical Information and Computer Sciences, 62(19):4642-4659, 2022. [doi]
@article{KrasoulisAPT22,
title = {DENVIS: Scalable and High-Throughput Virtual Screening Using Graph Neural Networks with Atomic and Surface Protein Pocket Features},
author = {Agamemnon Krasoulis and Nick Antonopoulos and Vassilis Pitsikalis and Stavros Theodorakis},
year = {2022},
doi = {10.1021/acs.jcim.2c01057},
url = {https://doi.org/10.1021/acs.jcim.2c01057},
researchr = {https://researchr.org/publication/KrasoulisAPT22},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {62},
number = {19},
pages = {4642-4659},
}