Journal of Chemistry / 2013 / Article / Tab 1

Research Article

Ligand-Based Pharmacophore Modeling and Virtual Screening of RAD9 Inhibitors

Table 1

Structural parameters of the model.

ProteinMHBD (Å)MHBEMHPhMHPsMCG+MCGMRV (Å3)TV (Å3)

BCL-22.2−1.4−65.4−38.3−66.564.5132.231592.6
RAD92.2−1.9−65.1−36.2−64.967.6140.737144.2

MHBD: mean hydrogen bond distance; MHBE: mean hydrogen bond energy; MHPh: mean helix phi; MHPs: mean helix psi; MCG+: mean chi gauche+; MCG: mean chi gauche−; MRV: mean residue volume; TV: total volume (packing).

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