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Lean-Docking: Exploiting Ligands' Predicted Docking Scores to Accelerate Molecular Docking

Berenger, F; Kumar, A; Zhang, KYJ; Yamanishi, Y

Berenger, F (corresponding author), Kyushu Inst Technol, Dept Biosci & Bioinformat, Fac Comp Sci & Syst Engn, Iizuka, Fukuoka 8208502, Japan.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021; 61 (5): 2341

Abstract

In structure-based virtual screening (SBVS), a binding site on a protein structure is used to search for ligands with favorable nonbonded interactions......

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