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Multiple ligand simultaneous docking

Li H, Li C (2010) Multiple ligand simultaneous docking orchestrated dancing of ligands in binding sites of protein. J Comput Chem 31 2014—2022... [Pg.222]

As long as a simultaneous docking of water molecules and ligands is an unsolved problem, it remains common practice to consider essential water molecules as a fixed part of the binding site. Preplaced water molecules may either correspond to recurrently observed waters found in multiple crystal structures of the tar-... [Pg.302]

A target site is characterized by different descriptors which can be used to orient a ligand in the site. Site characterization can be divided into two classes, based upon their use of geometric features and chemical functionality. Many programs have been developed we describe two examples to illustrate the different ideas SPHGEN (from the DOCK suite of programs) and Multiple Copy Simultaneous Search (MCSS). ... [Pg.1609]

See other pages where Multiple ligand simultaneous docking is mentioned: [Pg.215]    [Pg.298]    [Pg.215]    [Pg.298]    [Pg.182]    [Pg.542]    [Pg.298]    [Pg.57]    [Pg.56]    [Pg.59]    [Pg.22]    [Pg.231]    [Pg.387]   


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Docked ligand

Docking

Docking ligands

Docks

Multiple ligand

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