„Grundgerüstwechsel”︁ (Scaffold‐Hopping) durch topologische Pharmakophorsuche: ein Beitrag zum virtuellen Screening
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Gisbert Schneider | Gisbert Schneider | Werner Neidhart | Thomas Giller | Gerard Schmid | G. Schmid | Werner Neidhart | Thomas Giller
[1] R. Bohacek,et al. Modern computational chemistry and drug discovery: structure generating programs. , 1997, Current opinion in chemical biology.
[2] David R. Liu,et al. Das Hervorbringen neuer molekularer Funktionen: ein Lehrstück der Natur , 1999 .
[3] C L Brooks,et al. Do active site conformations of small ligands correspond to low free-energy solution structures? , 1998, Journal of computer-aided molecular design.
[4] J. Gasteiger,et al. Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks , 1995 .
[5] P. Molenaar,et al. Human vascular to cardiac tissue selectivity of L‐ and T‐type calcium channel antagonists , 1998, British journal of pharmacology.
[6] G Schneider,et al. Artificial neural networks for computer-based molecular design. , 1998, Progress in biophysics and molecular biology.
[7] I. Kuntz,et al. Molecular similarity based on DOCK-generated fingerprints. , 1996, Journal of medicinal chemistry.
[8] D. D. Jones,et al. Amino acid properties and side-chain orientation in proteins: a cross correlation appraoch. , 1975, Journal of theoretical biology.
[9] G. Schneider,et al. Peptide design by artificial neural networks and computer-based evolutionary search. , 1998, Proceedings of the National Academy of Sciences of the United States of America.
[10] John M. Barnard,et al. Chemical Similarity Searching , 1998, J. Chem. Inf. Comput. Sci..
[11] S. Ertel,et al. Low-voltage-activated T-type Ca2+ channels. , 1997, Trends in pharmacological sciences.
[12] S. Anzali,et al. Endothelin antagonists: search for surrogates of methylendioxyphenyl by means of a Kohonen neural network. , 1998, Bioorganic & medicinal chemistry letters.
[13] M C Nicklaus,et al. Pharmacophores in drug design and discovery. , 1998, SAR and QSAR in environmental research.
[14] David R. Liu,et al. Generating New Molecular Function: A Lesson from Nature , 1999 .
[15] Brown Rd,et al. An Evaluation of Structural Descriptors and Clustering Methods for Use in Diversity Selection , 1998 .
[16] M. Lazdunski,et al. Receptors for diphenylbutylpiperidine neuroleptics in brain, cardiac, and smooth muscle membranes. Relationship with receptors for 1,4-dihydropyridines and phenylalkylamines and with Ca2+ channel blockade. , 1987, European journal of pharmacology.
[17] H. Matter,et al. Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors. , 1997, Journal of medicinal chemistry.
[18] J. Gasteiger,et al. FROM ATOMS AND BONDS TO THREE-DIMENSIONAL ATOMIC COORDINATES : AUTOMATIC MODEL BUILDERS , 1993 .
[19] M Karplus,et al. Functionality map analysis of the active site cleft of human thrombin , 1996, J. Comput. Aided Mol. Des..