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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. Among authors: heeres j. 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
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. Among authors: heeres j. Drugs R D. 2004;5(5):245-57. doi: 10.2165/00126839-200405050-00001. Drugs R D. 2004. PMID: 15357624
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. Among authors: heeres j. J Med Chem. 2005 Mar 24;48(6):1901-9. doi: 10.1021/jm040840e. J Med Chem. 2005. PMID: 15771434 Review.
SYNOPSIS: SYNthesize and OPtimize System in Silico.
Vinkers HM, de Jonge MR, Daeyaert FF, Heeres J, Koymans LM, van Lenthe JH, Lewi PJ, Timmerman H, Van Aken K, Janssen PA. Vinkers HM, et al. Among authors: heeres j. J Med Chem. 2003 Jun 19;46(13):2765-73. doi: 10.1021/jm030809x. J Med Chem. 2003. PMID: 12801239
Roles of conformational and positional adaptability in structure-based design of TMC125-R165335 (etravirine) and related non-nucleoside reverse transcriptase inhibitors that are highly potent and effective against wild-type and drug-resistant HIV-1 variants.
Das K, Clark AD Jr, Lewi PJ, Heeres J, De Jonge MR, Koymans LM, Vinkers HM, Daeyaert F, Ludovici DW, Kukla MJ, De Corte B, Kavash RW, Ho CY, Ye H, Lichtenstein MA, Andries K, Pauwels R, De Béthune MP, Boyer PL, Clark P, Hughes SH, Janssen PA, Arnold E. Das K, et al. Among authors: heeres j. J Med Chem. 2004 May 6;47(10):2550-60. doi: 10.1021/jm030558s. J Med Chem. 2004. PMID: 15115397
TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1.
Andries K, Azijn H, Thielemans T, Ludovici D, Kukla M, Heeres J, Janssen P, De Corte B, Vingerhoets J, Pauwels R, de Béthune MP. Andries K, et al. Among authors: heeres j. Antimicrob Agents Chemother. 2004 Dec;48(12):4680-6. doi: 10.1128/AAC.48.12.4680-4686.2004. Antimicrob Agents Chemother. 2004. PMID: 15561844 Free PMC article.
60 results