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Download 3D QSAR in Drug Design: Recent Advances by Yvonne Connolly Martin (auth.), Hugo Kubinyi, Gerd Folkers, PDF

By Yvonne Connolly Martin (auth.), Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin (eds.)

Significant growth has been made within the research of 3-dimensional quantitative structure-activity relationships (3D QSAR) because the first ebook via Richard Cramer in 1988 and the 1st quantity within the sequence, 3D QSAR in Drug layout. conception, equipment and purposes, released in 1993. the purpose of that early publication used to be to give a contribution to the certainty and the extra software of CoMFA and similar ways and to facilitate the fitting use of those equipment. for the reason that then, 1000s of papers have seemed utilizing the quick constructing options of either 3D QSAR and computational sciences to check a vast number of organic difficulties. back the editor(s) felt that the time had come to solicit experiences on released and new viewpoints to rfile the cutting-edge of 3D QSAR in its broadest definition and to supply visions of the place new strategies will emerge or new appli- tions will be chanced on. The purpose isn't just to focus on new principles but in addition to teach the shortcomings, inaccuracies, and abuses of the equipment. we are hoping this booklet will let others to split trivial from visionary techniques and me-too technique from in- vative suggestions. those issues guided our collection of participants. To our pride, our demand papers elicited a superb many manuscripts.

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Design, 7 (1993) 671–682. 5. , Nozulak, J. G. ) Trends in QSAR and molecular modeling 92: Proceedings of the 9th European Symposium on S t r u c t u r e – A c t i v i t y R e l a t i o n s h i p s — QSAR and M o l e c u l a r Modeling, ESCOM, Leiden, The Netherlands, 1993, pp. 227–232. 6. Kubinyi, H. ), 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993. 35 Ulf Norinder 7. , Harris. L. , Quantitative binding site model generation: Compass applied to multiple chemotypes targeting the 5-HTIA receptor, J.

F. , HINT: A new method of empirical field calculation of CoMFA, J. -Aided Mol. Design, 5 (1991)545–552. E. , Hydrophohic fields, In Kubinyi, H. ) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp. 506–522. , A Computational procedure for determining energetically favorable binding sites on biologically important macromolecules, J. Med. , 28 (1985) 849–857. , Molecular interaction fields. In K u b i n y i , H. ) 3D QSAR in drug design: Theory, methods and applications, ESCOM, Leiden, The Netherlands, 1993, pp.

115. , Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CRG complexes, J. -Aided Mol. Design, 4 (1990) 381–389. 116. , Perissutti, E. , Combined use of factorial design and comparative molecular field analysis (CoMFA): A case study, Quant. -Act. , 13 (1994) 249–261. 117. , Catalano, G. , A PCA/PLS analysis on nonpeptide angiotensin II receptor antagonists. , Giraldo, J. and Manaut, F. ) QSAR and molecular modeling: Concepts, computational tools and biological applications.

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