Stouten PF - Search Results

1

Inhibition of protein-protein interactions: the discovery of druglike beta-catenin inhibitors by combining virtual and biophysical screening.

Trosset JY, Dalvit C, Knapp S, Fasolini M, Veronesi M, Mantegani S, Gianellini LM, Catana C, Sundström M, Stouten PF, Moll JK. Trosset JY, et al. Among authors: stouten pf. Proteins. 2006 Jul 1;64(1):60-7. doi: 10.1002/prot.20955. Proteins. 2006. PMID: 16568448

2

Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models.

Cotesta S, Giordanetto F, Trosset JY, Crivori P, Kroemer RT, Stouten PF, Vulpetti A. Cotesta S, et al. Among authors: stouten pf. Proteins. 2005 Sep 1;60(4):629-43. doi: 10.1002/prot.20473. Proteins. 2005. PMID: 16028223

3

Novel scoring functions comprising QXP, SASA, and protein side-chain entropy terms.

Giordanetto F, Cotesta S, Catana C, Trosset JY, Vulpetti A, Stouten PF, Kroemer RT. Giordanetto F, et al. Among authors: stouten pf. J Chem Inf Comput Sci. 2004 May-Jun;44(3):882-93. doi: 10.1021/ci0499626. J Chem Inf Comput Sci. 2004. PMID: 15154753

4

Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviations.

Kroemer RT, Vulpetti A, McDonald JJ, Rohrer DC, Trosset JY, Giordanetto F, Cotesta S, McMartin C, Kihlén M, Stouten PF. Kroemer RT, et al. Among authors: stouten pf. J Chem Inf Comput Sci. 2004 May-Jun;44(3):871-81. doi: 10.1021/ci049970m. J Chem Inf Comput Sci. 2004. PMID: 15154752

5

Novel, customizable scoring functions, parameterized using N-PLS, for structure-based drug discovery.

Catana C, Stouten PF. Catana C, et al. Among authors: stouten pf. J Chem Inf Model. 2007 Jan-Feb;47(1):85-91. doi: 10.1021/ci600357t. J Chem Inf Model. 2007. PMID: 17238252

6

Strategies for small molecule library design.

Sheppard DW, Lipkin MJ, Harris CJ, Catana C, Stouten PF. Sheppard DW, et al. Among authors: stouten pf. Curr Pharm Des. 2014;20(20):3314-22. doi: 10.2174/13816128113199990602. Curr Pharm Des. 2014. PMID: 23947648 Review.

7

Linear and nonlinear methods in modeling the aqueous solubility of organic compounds.

Catana C, Gao H, Orrenius C, Stouten PF. Catana C, et al. Among authors: stouten pf. J Chem Inf Model. 2005 Jan-Feb;45(1):170-6. doi: 10.1021/ci049797u. J Chem Inf Model. 2005. PMID: 15667142

8

The design and application of target-focused compound libraries.

Harris CJ, Hill RD, Sheppard DW, Slater MJ, Stouten PF. Harris CJ, et al. Among authors: stouten pf. Comb Chem High Throughput Screen. 2011 Jul;14(6):521-31. doi: 10.2174/138620711795767802. Comb Chem High Throughput Screen. 2011. PMID: 21521154 Free PMC article.

9

Influence of molecular flexibility and polar surface area metrics on oral bioavailability in the rat.

Lu JJ, Crimin K, Goodwin JT, Crivori P, Orrenius C, Xing L, Tandler PJ, Vidmar TJ, Amore BM, Wilson AG, Stouten PF, Burton PS. Lu JJ, et al. Among authors: stouten pf. J Med Chem. 2004 Nov 18;47(24):6104-7. doi: 10.1021/jm0306529. J Med Chem. 2004. PMID: 15537364

10

Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods.

Bucher D, Stouten P, Triballeau N. Bucher D, et al. J Chem Inf Model. 2018 Mar 26;58(3):692-699. doi: 10.1021/acs.jcim.7b00642. Epub 2018 Mar 5. J Chem Inf Model. 2018. PMID: 29489352

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