Fox T - Search Results

1

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.

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

BILN: A Human-Readable Line Notation for Complex Peptides.

Fox T, Bieler M, Haebel P, Ochoa R, Peters S, Weber A. Fox T, et al. J Chem Inf Model. 2022 Sep 12;62(17):3942-3947. doi: 10.1021/acs.jcim.2c00703. Epub 2022 Aug 19. J Chem Inf Model. 2022. PMID: 35984937

4

Assessing the fast prediction of peptide conformers and the impact of non-natural modifications.

Ochoa R, Fox T. Ochoa R, et al. Among authors: fox t. J Mol Graph Model. 2023 Dec;125:108608. doi: 10.1016/j.jmgm.2023.108608. Epub 2023 Aug 22. J Mol Graph Model. 2023. PMID: 37659134 Free article.

5

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

6

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.

7

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

8

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization.

Kamenik AS, Lessel U, Fuchs JE, Fox T, Liedl KR. Kamenik AS, et al. Among authors: fox t. J Chem Inf Model. 2018 May 29;58(5):982-992. doi: 10.1021/acs.jcim.8b00097. Epub 2018 Apr 20. J Chem Inf Model. 2018. PMID: 29652495 Free PMC article.

9

BRD4: quantum mechanical protein-ligand binding free energies using the full-protein DFT-based QM-PBSA method.

Gundelach L, Fox T, Tautermann CS, Skylaris CK. Gundelach L, et al. Among authors: fox t. Phys Chem Chem Phys. 2022 Oct 27;24(41):25240-25249. doi: 10.1039/d2cp03705j. Phys Chem Chem Phys. 2022. PMID: 36222107

10

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

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