Işık M - Search Results

1

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. 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.

2

pK_a measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments.

Işık M, Levorse D, Rustenburg AS, Ndukwe IE, Wang H, Wang X, Reibarkh M, Martin GE, Makarov AA, Mobley DL, Rhodes T, Chodera JD. Işık M, et al. J Comput Aided Mol Des. 2018 Oct;32(10):1117-1138. doi: 10.1007/s10822-018-0168-0. Epub 2018 Nov 7. J Comput Aided Mol Des. 2018. PMID: 30406372 Free PMC article.

3

Octanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge.

Işık M, Levorse D, Mobley DL, Rhodes T, Chodera JD. Işık M, et al. J Comput Aided Mol Des. 2020 Apr;34(4):405-420. doi: 10.1007/s10822-019-00271-3. Epub 2019 Dec 19. J Comput Aided Mol Des. 2020. PMID: 31858363 Free PMC article.

4

Overview of the SAMPL6 pK_a challenge: evaluating small molecule microscopic and macroscopic pK_a predictions.

Işık M, Rustenburg AS, Rizzi A, Gunner MR, Mobley DL, Chodera JD. Işık M, et al. J Comput Aided Mol Des. 2021 Feb;35(2):131-166. doi: 10.1007/s10822-020-00362-6. Epub 2021 Jan 4. J Comput Aided Mol Des. 2021. PMID: 33394238 Free PMC article.

5

SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction.

Grosjean H, Işık M, Aimon A, Mobley D, Chodera J, von Delft F, Biggin PC. Grosjean H, et al. Among authors: isik m. J Comput Aided Mol Des. 2022 Apr;36(4):291-311. doi: 10.1007/s10822-022-00452-7. Epub 2022 Apr 15. J Comput Aided Mol Des. 2022. PMID: 35426591 Free PMC article.

6

Standard state free energies, not pK_as, are ideal for describing small molecule protonation and tautomeric states.

Gunner MR, Murakami T, Rustenburg AS, Işık M, Chodera JD. Gunner MR, et al. Among authors: isik m. J Comput Aided Mol Des. 2020 May;34(5):561-573. doi: 10.1007/s10822-020-00280-7. Epub 2020 Feb 12. J Comput Aided Mol Des. 2020. PMID: 32052350 Free PMC article.

7

Automated high throughput pK_a and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge.

Bahr MN, Nandkeolyar A, Kenna JK, Nevins N, Da Vià L, Işık M, Chodera JD, Mobley DL. Bahr MN, et al. Among authors: isik m. J Comput Aided Mol Des. 2021 Nov;35(11):1141-1155. doi: 10.1007/s10822-021-00427-0. Epub 2021 Oct 29. J Comput Aided Mol Des. 2021. PMID: 34714468 Free PMC article.

8

An Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression.

Albanese SK, Parton DL, Işık M, Rodríguez-Laureano L, Hanson SM, Behr JM, Gradia S, Jeans C, Levinson NM, Seeliger MA, Chodera JD. Albanese SK, et al. Among authors: isik m. Biochemistry. 2018 Aug 7;57(31):4675-4689. doi: 10.1021/acs.biochem.7b01081. Epub 2018 Jul 26. Biochemistry. 2018. PMID: 30004690 Free PMC article.

9

Quantitative self-assembly prediction yields targeted nanomedicines.

Shamay Y, Shah J, Işık M, Mizrachi A, Leibold J, Tschaharganeh DF, Roxbury D, Budhathoki-Uprety J, Nawaly K, Sugarman JL, Baut E, Neiman MR, Dacek M, Ganesh KS, Johnson DC, Sridharan R, Chu KL, Rajasekhar VK, Lowe SW, Chodera JD, Heller DA. Shamay Y, et al. Among authors: isik m. Nat Mater. 2018 Apr;17(4):361-368. doi: 10.1038/s41563-017-0007-z. Epub 2018 Feb 5. Nat Mater. 2018. PMID: 29403054 Free PMC article.

10

Antioxidant, antidiabetic effects and polyphenolic contents of propolis from Siirt, Turkey.

Ören E, Tuncay S, Toprak YE, Fırat M, Toptancı İ, Karasakal ÖF, Işık M, Karahan M. Ören E, et al. Among authors: isik m. Food Sci Nutr. 2024 Jan 9;12(4):2772-2782. doi: 10.1002/fsn3.3958. eCollection 2024 Apr. Food Sci Nutr. 2024. PMID: 38628175 Free PMC article.

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