Exploring the potential of compound–protein complex structure-free models in virtual screening using BlendNet
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DOI: 10.1093/bib/bbae712
Abstract: Abstract Identifying new compounds that interact with a target is a crucial time-limiting step in the initial phases of drug discovery. Compound–protein complex structure-based affinity prediction models can expedite this process; however, their dependence on… read more here.
Keywords: compound protein; complex structure; blendnet;