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On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data.
Lewi PJ, de Jonge M, Daeyaert F, Koymans L, Vinkers M, Heeres J, Janssen PA, Arnold E, Das K, Clark AD Jr, Hughes SH, Boyer PL, de Béthune MP, Pauwels R, Andries K, Kukla M, Ludovici D, De Corte B, Kavash R, Ho C. Lewi PJ, et al. J Comput Aided Mol Des. 2003 Feb-Apr;17(2-4):129-34. doi: 10.1023/a:1025313705564. J Comput Aided Mol Des. 2003. PMID: 13677481
In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine).
Janssen PA, Lewi PJ, Arnold E, Daeyaert F, de Jonge M, Heeres J, Koymans L, Vinkers M, Guillemont J, Pasquier E, Kukla M, Ludovici D, Andries K, de Béthune MP, Pauwels R, Das K, Clark AD Jr, Frenkel YV, Hughes SH, Medaer B, De Knaep F, Bohets H, De Clerck F, Lampo A, Williams P, Stoffels P. Janssen PA, et al. J Med Chem. 2005 Mar 24;48(6):1901-9. doi: 10.1021/jm040840e. J Med Chem. 2005. PMID: 15771434 Review.
Correlations between factors determining the pharmacokinetics and antiviral activity of HIV-1 non-nucleoside reverse transcriptase inhibitors of the diaryltriazine and diarylpyrimidine classes of compounds.
Lewi P, Arnold E, Andries K, Bohets H, Borghys H, Clark A, Daeyaert F, Das K, de Béthune MP, de Jonge M, Heeres J, Koymans L, Leempoels J, Peeters J, Timmerman P, Van den Broeck W, Vanhoutte F, Van't Klooster G, Vinkers M, Volovik Y, Janssen PA. Lewi P, et al. Drugs R D. 2004;5(5):245-57. doi: 10.2165/00126839-200405050-00001. Drugs R D. 2004. PMID: 15357624
15 results