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Combining fragment docking with graph theory to improve ligand docking for homology model structures

Sarfaraz, S; Muneer, I; Liu, HY

Liu, HY (corresponding author), Univ Sci & Technol China, Sch Iife Sci, Hefei 230026, Anhui, Peoples R China.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020; 34 (12): 1237

Abstract

Computational protein-ligand docking is well-known to be prone to inaccuracies in input receptor structures, and it is challenging to obtain good dock......

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