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Comparative binding energy analysis (COMBINE)

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  12. Masamoto Arakawaa, Kiyoshi Hasegawab, Kimito Funatsu: Tailored scoring function of Trypsin–benzamidine complex using COMBINE descriptors and support vector regression. Chemometrics and Intelligent Laboratory Systems, Volume 92, Issue 2, 15 July 2008, Pages 145-151.
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  16. Martin B. Peters, Kenneth M. Merz Jr.: Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin Inhibitors. J. Chem. Theory Comput., 2006, 2 (2), pp 383–399.
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  19. Marta Murcia, Antonio Morreale, Angel R. Ortiz: Comparative Binding Energy Analysis Considering Multiple Receptors: A Step toward 3D-QSAR Models for Multiple Targets. J. Med. Chem., 2006, 49 (21), pp 6241–6253. link
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  22. Rebecca C. Wade, Stefan Henrich, Ting Wang: Using 3D protein structures to derive 3D-QSARs. Drug Discovery Today: Technologies, Volume 1, Issue 3, December 2004, Pages 241-246.
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  30. Jiri Damborsky, Jan Kmunicek, Tomas Jedlicka,Santos Luengo, Federico Gago, Angel R. Ortiz and Rebecca C. Wade: Rational Re-design of Haloalkane Dehalogenases Guided by Comparative Binding Energy Analysis. In “Enzyme functionality: Design, Engineering and Screening”, Ed. A. Svendsen, Marcel Dekker, New York, ISBN: 0-8247-4709-7 (2004) pp79-96.
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  35. Ting Wang, Rebecca C. Wade: COMBINE 3D-QSAR Analysis of Influenza Neuraminidase Inhibitors. In: “Rational Approaches to Drug Design: 13th European Symposium on Quantitative Structure-Activity Relationships”, Eds. Holtje, H-D., Sippl,W. (2001), Prous Science S.A., Barcelona, pp78-82.
  36. Rebecca C. Wade: Derivation of QSARs using 3D structural models of protein-ligand complexes. In: “Rational Approaches to Drug Design: 13th European Symposium on Quantitative Structure-Activity Relationships”, Eds. Holtje, H-D., Sippl,W. (2001), Prous Science S.A., Barcelona, pp23-28.
  37. Sanja Tomica, Rebecca C. Wade: COMBINE Analysis of Nuclear Receptor-DNA Binding Specificity: Comparison of Two Sets of Data. CROATICA CHEMICA ACTA CCACAA 74 (2) 295-314 (2001), ISSN-0011-1643 CCA-2733 Original Scientific Paper.
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  40. Sanja Tomic,Lennart Nilsson, Rebecca C. Wade: Nuclear Receptor−DNA Binding Specificity: A COMBINE and Free−Wilson QSAR Analysis. J. Med. Chem., 2000, 43 (9), pp 1780–1792.
  41. M. Pastor, F. Gago, G. Cruciani: Comparative binding energy (COMBINE) analysis on a series of glycogen phosphorylase inhibitors: comparison with GRID/GOLPE methods. 2000
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  43. Kiyoshi Hasegawa, Toshiro Kimura, Kimito Funatsu: GA Strategy for Variable Selection in QSAR Studies: Enhancement of Comparative Molecular Binding Energy Analysis by GA-Based PLS Method. Quantitative Structure-Activity Relationships, 18 (3) 262–272, July 1999.
  44. Rebecca C. Wade, A. R. Oritz, F. Gago: Comparative binding energy analysis. Perspectives in Drug Discovery and Design, Volumes 9-11, January 1998 , 19-34(16).
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