Site binding

Characterization of the binding region is aided by the following computer visualization and molecular modeling tools. [Pg.275]

H-Bonds. Hydrogen bonding analyses of the protein and ligand complexes use a geometric hydrogen bond definition adopted in terms of the proton donor and lone pair acceptor positions. This information is useful to estimate the number of favorable hydrogen bonds for each inhibitor. [Pg.275]

The information gained by characterization of the binding site can aid in the design of a new ligand as well as the optimization of an existing lead. [Pg.276]

If tliere are n independent binding sites per receptor, conservation of mass dictates tliat s = nb - c, where /jq is tire... [Pg.2824]

D P f Goodford 1985. A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules. Journal of Medicinal Chemistry 28 849-857. Molecular Discovery Ltd, Oxford, United Kingdom. [Pg.18]

The GRID program [Goodford 1985] that is used for finding energetically favourable regions in protein binding sites uses a direction-dependent 6-4 fxmction ... [Pg.233]

Fig. 12.22 The DOCK algorithm [Kuntz et a]. 1982]. Atoms are matched to sphere centres and then the molecule i positioned within the binding site.

Locating Favourable Positions of Molecular Fragments Within a Binding Site... [Pg.703]

See also in sourсe #XX -- [ Pg.2 , Pg.69 , Pg.71 , Pg.295 ]

See also in sourсe #XX -- [ Pg.80 ]

See also in sourсe #XX -- [ Pg.346 ]

See also in sourсe #XX -- [ Pg.173 , Pg.175 , Pg.195 ]

See also in sourсe #XX -- [ Pg.85 , Pg.86 , Pg.90 , Pg.92 , Pg.103 , Pg.104 ]

See also in sourсe #XX -- [ Pg.9 , Pg.10 , Pg.17 , Pg.21 , Pg.28 ]

See also in sourсe #XX -- [ Pg.32 ]

See also in sourсe #XX -- [ Pg.10 , Pg.117 , Pg.131 , Pg.152 , Pg.171 ]

See also in sourсe #XX -- [ Pg.120 , Pg.178 ]

See also in sourсe #XX -- [ Pg.2 , Pg.5 , Pg.31 , Pg.36 , Pg.44 ]

See also in sourсe #XX -- [ Pg.49 , Pg.85 , Pg.87 , Pg.93 , Pg.102 , Pg.105 , Pg.147 , Pg.193 ]

See also in sourсe #XX -- [ Pg.455 , Pg.594 ]

See also in sourсe #XX -- [ Pg.27 ]

See also in sourсe #XX -- [ Pg.201 ]

See also in sourсe #XX -- [ Pg.139 ]

See also in sourсe #XX -- [ Pg.2 , Pg.3 , Pg.5 , Pg.6 , Pg.10 , Pg.33 , Pg.36 , Pg.39 , Pg.57 , Pg.60 , Pg.63 , Pg.67 , Pg.71 , Pg.72 , Pg.73 , Pg.74 , Pg.77 , Pg.78 , Pg.82 , Pg.85 , Pg.94 , Pg.99 , Pg.100 , Pg.102 , Pg.104 , Pg.107 , Pg.108 , Pg.115 , Pg.124 , Pg.137 , Pg.140 , Pg.141 , Pg.175 , Pg.177 , Pg.182 , Pg.191 , Pg.251 , Pg.252 , Pg.258 , Pg.263 , Pg.276 , Pg.282 , Pg.283 , Pg.286 , Pg.287 , Pg.290 , Pg.292 , Pg.293 ]

See also in sourсe #XX -- [ Pg.6 , Pg.23 , Pg.114 , Pg.119 , Pg.122 , Pg.148 , Pg.416 ]

See also in sourсe #XX -- [ Pg.477 , Pg.478 , Pg.491 , Pg.493 ]

See also in sourсe #XX -- [ Pg.3 , Pg.9 , Pg.38 ]

See also in sourсe #XX -- [ Pg.92 ]

See also in sourсe #XX -- [ Pg.65 ]

See also in sourсe #XX -- [ Pg.194 , Pg.283 ]

See also in sourсe #XX -- [ Pg.662 ]

See also in sourсe #XX -- [ Pg.442 ]

See also in sourсe #XX -- [ Pg.223 ]

See also in sourсe #XX -- [ Pg.25 , Pg.35 , Pg.59 ]

See also in sourсe #XX -- [ Pg.5 , Pg.14 , Pg.275 ]

See also in sourсe #XX -- [ Pg.186 ]

See also in sourсe #XX -- [ Pg.86 ]

See also in sourсe #XX -- [ Pg.121 , Pg.161 , Pg.166 , Pg.169 ]

See also in sourсe #XX -- [ Pg.69 , Pg.70 ]

See also in sourсe #XX -- [ Pg.102 , Pg.103 , Pg.104 , Pg.108 ]

See also in sourсe #XX -- [ Pg.378 ]

Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...