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Computational approaches to model ligand selectivity in drug design.
Ortiz AR, Gomez-Puertas P, Leo-Macias A, Lopez-Romero P, Lopez-Viñas E, Morreale A, Murcia M, Wang K. Ortiz AR, et al. Among authors: murcia m. Curr Top Med Chem. 2006;6(1):41-55. doi: 10.2174/156802606775193338. Curr Top Med Chem. 2006. PMID: 16454757 Review.
Gaussian mapping of chemical fragments in ligand binding sites.
Wang K, Murcia M, Constans P, Pérez C, Ortiz AR. Wang K, et al. Among authors: murcia m. J Comput Aided Mol Des. 2004 Feb;18(2):101-18. doi: 10.1023/b:jcam.0000030033.26053.40. J Comput Aided Mol Des. 2004. PMID: 15287697
Synthesis and structure-activity relationships of a new model of arylpiperazines. 3.1 2-[omega-(4-arylpiperazin-1-yl)alkyl]perhydropyrrolo- [1,2-c]imidazoles and -perhydroimidazo[1,5-a]pyridines: study of the influence of the terminal amide fragment on 5-HT1A affinity/selectivity.
López-Rodríguez ML, Morcillo MJ, Fernández E, Porras E, Murcia M, Sanz AM, Orensanz L. López-Rodríguez ML, et al. Among authors: murcia m. J Med Chem. 1997 Aug 1;40(16):2653-6. doi: 10.1021/jm970216k. J Med Chem. 1997. PMID: 9258372
272 results