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Published in 2025 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.5c00893
Abstract: Molecular docking is a widely used technique in structure-based drug design for generating poses of small molecules in a protein receptor structure. These poses are then ranked to prioritize compounds for experimental validation. Numerous approaches…
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Keywords:
molecular recognition;
csd;
recognition docking;
docking versus ... See more keywords