Connected fragments

Thompson, D. C., Denny, R. A., Nilakantan, R., Humblet, C., Joseph-McCarthy, D., Feyfant, E. (2008) CONFIRM connecting fragments found in receptor molecules. J Comput Aided Mol Des 22, 761-772. 

Connect binding fragments positioned in the active site, with cyclic connecting fragments... 

Database of cyclic connecting fragments, and a known ligand to the binding site... 

Fragments used for building fragment descriptors can be connected and disconnected. Most applications are based on connected fragments. The point is... 

Figure 28.7 Importance of suppression of the rotation between two connected fragments (A and B) resulting from monomer 10. Unhindered rotation at C leads to a 3-D growth, resulting in a hyperbranched structure [50].

As an illustration of the first point, atom-based methods sometimes attempt to limit the number of possibilities to be searched by assuming only sp connections. Fragment buildup procedures can also lose diversity depending on how the fragments are permitted to join together (e.g., in the construction of... 

Ecosystem integrity and ecosystem goods and services Marine Trophic Index Water quality of freshwater ecosystems Trophic integrity of other ecosystems Connectivity/fragmentation of ecosystems Incidence of human-induced ecosystem failure Health and well-being of communities that depend directly on local ecosystem goods and services Biodiversity for food and medicine... 

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