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作者:Sérgio E. D. Dias , Ana Mafalda Martins ...
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:Sérgio E. D. Dias , Abel J. P. Gomes
来源:[B].Springer International Publishing2015Springer
摘要:Abstract Triangulating molecular surfaces is an important requirement in computational biology and bioinformatics not only to visualize molecules and molecular complexes on computer screen, but also to measure their areas and volumes, as well as to infer useful information about ...

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