Wegner J - Search Results

1

Design and synthesis of HIV-1 protease inhibitors for a long-acting injectable drug application.

Kesteleyn B, Amssoms K, Schepens W, Hache G, Verschueren W, Van De Vreken W, Rombauts K, Meurs G, Sterkens P, Stoops B, Baert L, Austin N, Wegner J, Masungi C, Dierynck I, Lundgren S, Jönsson D, Parkes K, Kalayanov G, Wallberg H, Rosenquist A, Samuelsson B, Van Emelen K, Thuring JW. Kesteleyn B, et al. Among authors: wegner j. Bioorg Med Chem Lett. 2013 Jan 1;23(1):310-7. doi: 10.1016/j.bmcl.2012.10.095. Epub 2012 Nov 1. Bioorg Med Chem Lett. 2013. PMID: 23177258

2

Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors.

Hohlfeld K, Tomassi C, Wegner JK, Kesteleyn B, Linclau B. Hohlfeld K, et al. ACS Med Chem Lett. 2011 Mar 31;2(6):461-5. doi: 10.1021/ml2000356. eCollection 2011 Jun 9. ACS Med Chem Lett. 2011. PMID: 24900331 Free PMC article.

3

Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors (II).

Hohlfeld K, Wegner JK, Kesteleyn B, Linclau B, Unge J. Hohlfeld K, et al. Among authors: wegner jk. J Med Chem. 2015 May 14;58(9):4029-38. doi: 10.1021/acs.jmedchem.5b00358. Epub 2015 Apr 30. J Med Chem. 2015. PMID: 25897791

4

Toward Dose Prediction at Point of Design.

Van Rompaey D, Ray Chaudhuri S, Ahmad M, Cisar J, Van Den Bergh A, Ash J, Wu Z, Bryan MC, Edwards JP, DesJarlais R, Wegner JK, Ceulemans H, Mitra K, Polidori D. Van Rompaey D, et al. Among authors: wegner jk. J Med Chem. 2024 Dec 26;67(24):22282-22290. doi: 10.1021/acs.jmedchem.4c02385. Epub 2024 Dec 12. J Med Chem. 2024. PMID: 39666573

5

Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data.

van Westen GJ, van den Hoven OO, van der Pijl R, Mulder-Krieger T, de Vries H, Wegner JK, Ijzerman AP, van Vlijmen HW, Bender A. van Westen GJ, et al. Among authors: wegner jk. J Med Chem. 2012 Aug 23;55(16):7010-20. doi: 10.1021/jm3003069. Epub 2012 Aug 3. J Med Chem. 2012. PMID: 22827545

6

Recent advances in chemoinformatics.

Agrafiotis DK, Bandyopadhyay D, Wegner JK, Vlijmen Hv. Agrafiotis DK, et al. J Chem Inf Model. 2007 Jul-Aug;47(4):1279-93. doi: 10.1021/ci700059g. Epub 2007 May 19. J Chem Inf Model. 2007. PMID: 17511441

7

Mining protein dynamics from sets of crystal structures using "consensus structures".

van Westen GJ, Wegner JK, Bender A, Ijzerman AP, van Vlijmen HW. van Westen GJ, et al. Among authors: wegner jk. Protein Sci. 2010 Apr;19(4):742-52. doi: 10.1002/pro.350. Protein Sci. 2010. PMID: 20120021 Free PMC article.

8

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development.

van Westen GJ, Wegner JK, Geluykens P, Kwanten L, Vereycken I, Peeters A, Ijzerman AP, van Vlijmen HW, Bender A. van Westen GJ, et al. Among authors: wegner jk. PLoS One. 2011;6(11):e27518. doi: 10.1371/journal.pone.0027518. Epub 2011 Nov 23. PLoS One. 2011. PMID: 22132107 Free PMC article.

9

Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data.

van Westen GJ, Hendriks A, Wegner JK, Ijzerman AP, van Vlijmen HW, Bender A. van Westen GJ, et al. Among authors: wegner jk. PLoS Comput Biol. 2013;9(2):e1002899. doi: 10.1371/journal.pcbi.1002899. Epub 2013 Feb 21. PLoS Comput Biol. 2013. PMID: 23436985 Free PMC article.

10

Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.

van Westen GJ, Swier RF, Wegner JK, Ijzerman AP, van Vlijmen HW, Bender A. van Westen GJ, et al. J Cheminform. 2013 Sep 23;5(1):41. doi: 10.1186/1758-2946-5-41. J Cheminform. 2013. PMID: 24059694 Free PMC article.

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