Comparative binding energy analysis

Ortiz, A.R., Pisabarro, M.T., Gago, F., and Wade, R.C. Prediction of drug binding affinities by comparative binding energy analysis./. Med. Chem. 1995, 38, 2681-2691. 

Perez, C., Pastor, M., Ortiz, A.R., and Gago, F. Comparative binding energy analysis of HIV-1 protease inhibitors incorporation of solvent effects and validation as a powerful tool in receptor-based drug design. /. Med. Chem. 1998, 41, 836-852. 

Summary of the 3D-QSAR Analysis Results for the 49 HIV-1 Protease Inhibitors Using the 3D-LogP Descriptor and Statistical Comparison with the Comparative Binding Energy Analysis (50) (COMBINE)... 

J., Luque, F.J., Gago, F. Modulation of Binding Strength in Several Classes of Active Site Inhibitors of Acetylcholinesterase Studied by Comparative Binding Energy Analysis. /. Med. Chem. 2004, 47, 4471-4482. 

Murcia, M., A. Morreale, and A.R. Ortiz. 2006. Comparative binding energy analysis considering multiple receptors A step toward 3D-QSAR models for multiple targets. /. Med. Chem. 49(21) 6241-6253. 

COMBINE comparative binding energy analysis AHPBA 3(S)-amino-2(S)-hydroxyl-4-phenyl butanoic acid... 

A. R. Ortiz, M. T. Pisabarro, F. Gago, and R. C. Wade,/. Med. Chem., 38, 2681 (1995). Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis. 

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