Comparative binding energy analysis (COMBINE)
First description of the COMBINE analysis method : long:7629807
- long:23532250
- long:23450741
- long:22925713
- long:22762501
- long:22431398
- long:20205431
- long:19768680
- long:19705486
- long:19492438
- long:19251817
- long:18540590
- 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.
- long:17329110
- long:17295314
- long:17627522
- 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.
- long:16454757
- long:17027266
- 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
- long:15736949
- long:15345541
- 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.
- long:15533451
- long:14995186
- long:14761183
- long:15317459
- long:15028256
- long:15481986
- long:15142553
- 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.
- long:14635723
- long:12383008
- long:12463642
- long:11300878
- 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.
- 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.
- 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.
- long:11467952
- long:11812259
- 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.
- M. Pastor, F. Gago, G. Cruciani: Comparative binding energy (COMBINE) analysis on a series of glycogen phosphorylase inhibitors: comparison with GRID/GOLPE methods. 2000
- long:10815771
- 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.
- 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).
- long:9526559
- long:9704299
- long:9089335
- long:7629807
