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. Author manuscript; available in PMC: 2013 Jan 30.
Published in final edited form as: J Comput Chem. 2011 Nov 23;33(3):301–310. doi: 10.1002/jcc.21978

Table 2.

The real space R values/real space correlation coefficients for refined protein-RA complexes by different refinement approaches

RSR/RSCC 3CWK 1CBS 2LBD 2VE3 2VE3
A300 A200 A500 A1445 B1445
Weighting Factors wa = 0.3 wa = 0.4 wa = 1.0 wa = 1.0 wa = 1.0
CNS/MM 0.060/0.940 0.086/0.914 0.141/0.859 0.143/0.857 0.129/0.871
QM(HF/6-31G*)/MM 0.049/0.951 0.084/0.916 0.102/0.898 0.072/0.928 0.076/0.924