Fox T - Search Results

1

A support vector machine approach to classify human cytochrome P450 3A4 inhibitors.

Kriegl JM, Arnhold T, Beck B, Fox T. Kriegl JM, et al. Among authors: fox t. J Comput Aided Mol Des. 2005 Mar;19(3):189-201. doi: 10.1007/s10822-005-3785-3. J Comput Aided Mol Des. 2005. PMID: 16059671

2

Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors.

Fox T, Haaksma EE. Fox T, et al. J Comput Aided Mol Des. 2000 Jul;14(5):411-25. doi: 10.1023/a:1008167012101. J Comput Aided Mol Des. 2000. PMID: 10896314

3

Multivariate modeling of cytochrome P450 3A4 inhibition.

Kriegl JM, Eriksson L, Arnhold T, Beck B, Johansson E, Fox T. Kriegl JM, et al. Among authors: fox t. Eur J Pharm Sci. 2005 Apr;24(5):451-63. doi: 10.1016/j.ejps.2004.12.009. Eur J Pharm Sci. 2005. PMID: 15784335

4

Machine learning techniques for in silico modeling of drug metabolism.

Fox T, Kriegl JM. Fox T, et al. Curr Top Med Chem. 2006;6(15):1579-91. doi: 10.2174/156802606778108915. Curr Top Med Chem. 2006. PMID: 16918470 Review.

5

Computational approaches to predict drug metabolism.

Czodrowski P, Kriegl JM, Scheuerer S, Fox T. Czodrowski P, et al. Among authors: fox t. Expert Opin Drug Metab Toxicol. 2009 Jan;5(1):15-27. doi: 10.1517/17425250802568009. Expert Opin Drug Metab Toxicol. 2009. PMID: 19236226 Review.

6

Bias-correction of regression models: a case study on hERG inhibition.

Hansen K, Rathke F, Schroeter T, Rast G, Fox T, Kriegl JM, Mika S. Hansen K, et al. Among authors: fox t. J Chem Inf Model. 2009 Jun;49(6):1486-96. doi: 10.1021/ci9000794. J Chem Inf Model. 2009. PMID: 19435326

7

Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge.

Işık M, Bergazin TD, Fox T, Rizzi A, Chodera JD, Mobley DL. Işık M, et al. Among authors: fox t. J Comput Aided Mol Des. 2020 Apr;34(4):335-370. doi: 10.1007/s10822-020-00295-0. Epub 2020 Feb 27. J Comput Aided Mol Des. 2020. PMID: 32107702 Free PMC article.

8

A challenging system: free energy prediction for factor Xa.

Wallnoefer HG, Liedl KR, Fox T. Wallnoefer HG, et al. Among authors: fox t. J Comput Chem. 2011 Jun;32(8):1743-52. doi: 10.1002/jcc.21758. Epub 2011 Mar 4. J Comput Chem. 2011. PMID: 21374633

9

Protocol for iterative optimization of modified peptides bound to protein targets.

Ochoa R, Cossio P, Fox T. Ochoa R, et al. Among authors: fox t. J Comput Aided Mol Des. 2022 Nov;36(11):825-835. doi: 10.1007/s10822-022-00482-1. Epub 2022 Oct 19. J Comput Aided Mol Des. 2022. PMID: 36258137 Free PMC article.

10

GRID/CPCA: a new computational tool to design selective ligands.

Kastenholz MA, Pastor M, Cruciani G, Haaksma EE, Fox T. Kastenholz MA, et al. Among authors: fox t. J Med Chem. 2000 Aug 10;43(16):3033-44. doi: 10.1021/jm000934y. J Med Chem. 2000. PMID: 10956211

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