van Vlijmen HWT - Search Results

1

Blood-based metabolic signatures in Alzheimer's disease.

de Leeuw FA, Peeters CFW, Kester MI, Harms AC, Struys EA, Hankemeier T, van Vlijmen HWT, van der Lee SJ, van Duijn CM, Scheltens P, Demirkan A, van de Wiel MA, van der Flier WM, Teunissen CE. de Leeuw FA, et al. Among authors: van duijn cm, van der lee sj, van der flier wm, van vlijmen hwt, van de wiel ma. Alzheimers Dement (Amst). 2017 Sep 6;8:196-207. doi: 10.1016/j.dadm.2017.07.006. eCollection 2017. Alzheimers Dement (Amst). 2017. PMID: 28951883 Free PMC article.

2

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors.

Burggraaff L, Lenselink EB, Jespers W, van Engelen J, Bongers BJ, González MG, Liu R, Hoos HH, van Vlijmen HWT, IJzerman AP, van Westen GJP. Burggraaff L, et al. Among authors: van vlijmen hwt. J Chem Inf Model. 2020 Sep 28;60(9):4283-4295. doi: 10.1021/acs.jcim.9b01204. Epub 2020 May 12. J Chem Inf Model. 2020. PMID: 32343143 Free PMC article.

3

Quantitative prediction of selectivity between the A₁ and A_2A adenosine receptors.

Burggraaff L, van Vlijmen HWT, IJzerman AP, van Westen GJP. Burggraaff L, et al. Among authors: van vlijmen hwt. J Cheminform. 2020 May 13;12(1):33. doi: 10.1186/s13321-020-00438-3. J Cheminform. 2020. PMID: 33431012 Free PMC article.

4

Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.

Lenselink EB, Jespers W, van Vlijmen HW, IJzerman AP, van Westen GJ. Lenselink EB, et al. J Chem Inf Model. 2016 Oct 24;56(10):2053-2060. doi: 10.1021/acs.jcim.6b00314. Epub 2016 Sep 27. J Chem Inf Model. 2016. PMID: 27626908

5

Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs.

Burggraaff L, van Veen A, Lam CC, van Vlijmen HWT, IJzerman AP, van Westen GJP. Burggraaff L, et al. Among authors: van vlijmen hwt. J Chem Inf Model. 2020 Oct 26;60(10):4664-4672. doi: 10.1021/acs.jcim.0c00695. Epub 2020 Oct 5. J Chem Inf Model. 2020. PMID: 32931270 Free PMC article.

6

A model for the antagonist binding site on the adenosine A1 receptor, based on steric, electrostatic, and hydrophobic properties.

van Galen PJ, van Vlijmen HW, IJzerman AP, Soudijn W. van Galen PJ, et al. J Med Chem. 1990 Jun;33(6):1708-13. doi: 10.1021/jm00168a027. J Med Chem. 1990. PMID: 2342066

7

Molecular modeling of a putative antagonist binding site on helix III of the beta-adrenoceptor.

van Vlijmen HW, IJzerman AP. van Vlijmen HW, et al. J Comput Aided Mol Des. 1989 Jun;3(2):165-74. doi: 10.1007/BF01557726. J Comput Aided Mol Des. 1989. PMID: 2570825

8

A molecular graphics study exploring a putative ligand binding site of the beta-adrenoceptor.

IJzerman AP, van Vlijmen HW. IJzerman AP, et al. J Comput Aided Mol Des. 1988 Apr;2(1):43-53. doi: 10.1007/BF01532052. J Comput Aided Mol Des. 1988. PMID: 2848931

9

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. Protein Sci. 2010 Apr;19(4):742-52. doi: 10.1002/pro.350. Protein Sci. 2010. PMID: 20120021 Free PMC article.

10

A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization.

van der Horst E, Peironcely JE, Ijzerman AP, Beukers MW, Lane JR, van Vlijmen HW, Emmerich MT, Okuno Y, Bender A. van der Horst E, et al. BMC Bioinformatics. 2010 Jun 10;11:316. doi: 10.1186/1471-2105-11-316. BMC Bioinformatics. 2010. PMID: 20537162 Free PMC article.

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