Articles with "docking versus" as a keyword



Comparison of Molecular Recognition in Docking Versus Experimental CSD and PDB Data

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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… read more here.

Keywords: molecular recognition; csd; recognition docking; docking versus ... See more keywords