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作者:... Ana Mafalda Martins , Quoc T. Nguyen , Abel J. P. Gomes
来源:[J].BMC Bioinformatics(IF 3.024), 2017, Vol.18 (1)Springer
摘要:Protein cavities play a key role in biomolecular recognition and function, particularly in protein-ligand interactions, as usual in drug discovery and design. Grid-based cavity detection methods aim at finding cavities as aggregates of grid nodes outside the molecule, under the c...
作者:Quoc T. Nguyen , Joaquim A. Jorge
来源:[J].Future Generation Computer Systems(IF 1.864), 2017, Vol.67, pp.430-440Elsevier
摘要:Abstract(#br)Protein cavities are specific regions on the protein surface where ligands (small molecules) may bind. Such cavities are putative binding sites of proteins for ligands. Usually, cavities correspond to voids, pockets, and depressions of molecular surfaces. The locatio...

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