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Novel Docking Algorithms

In ASEDock [74], the ligand binding site is described as a concave portion of the protein surface and represented as a collection of alpha spheres. An alpha sphere is a sphere contacting n atoms at its boundaries (usually n = 4), but containing no [Pg.162]

Artificial intelligence algorithms have also been embedded in docking codes, notably ant colony optimization (AGO) and particle swarm optimization (PSO) [80, [Pg.163]

Both algorithms try to reproduce the behavior of self-organized systems. AGO is [Pg.163]

Working on a modified version of DOCK, a novel algorithm combining multiple flexible regions from experimental stmctures into a set of discrete receptor conformations was developed to incorporate flexibility into structure-based drug... [Pg.252]

Novel Algorithm for Efficient Distribution of Molecular Docking Calculations... [Pg.65]

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