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Figure 5 | BMC Chemical Biology

Figure 5

From: DG-AMMOS: A New tool to generate 3D conformation of small molecules using D istance G eometry and A utomated M olecular M echanics O ptimization for in silico S creening

Figure 5

Examples of several compounds selected from the Cambridge Structural Database representing often seen torsion angles. These molecules contain fragments demonstrated to be part of the most represented small bioactive molecules [20]. The most preferred experimentally observed in CSD torsion angles Ï„ and the torsion angles generated by DG-AMMOS and Balloon are given in deg. The energies are given in kcal.mol-1.

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BMC Chemical Biology

ISSN: 1472-6769