Awoonor-Williams E - Search Results

1

Molecular Insights into the Impact of Mutations on the Binding Affinity of Targeted Covalent Inhibitors of BTK.

Awoonor-Williams E, Abu-Saleh AAA. Awoonor-Williams E, et al. J Phys Chem B. 2024 Mar 28;128(12):2874-2884. doi: 10.1021/acs.jpcb.4c00310. Epub 2024 Mar 19. J Phys Chem B. 2024. PMID: 38502552

2

Prioritizing Mentorship as Scientific Leaders.

Deng JM, Ahmed SE, Awoonor-Williams E, Banerjee P, Barecka MH, Bickerton LE, Di Pietro SA, Dorn SK, Jablonka KM, Laudadio G, Kreidt E, Mannochio-Russo H, Terra J, Wilkins OH, Yerneni SS, Yusuf M. Deng JM, et al. Among authors: awoonor williams e. ACS Cent Sci. 2024 Jan 10;10(2):209-213. doi: 10.1021/acscentsci.3c00500. eCollection 2024 Feb 28. ACS Cent Sci. 2024. PMID: 38435513 Free PMC article. No abstract available.

3

Leveraging Advanced In Silico Techniques in Early Drug Discovery: A Study of Potent Small-Molecule YAP-TEAD PPI Disruptors.

Awoonor-Williams E, Dickson CJ, Furet P, Golosov AA, Hornak V. Awoonor-Williams E, et al. J Chem Inf Model. 2023 Apr 24;63(8):2520-2531. doi: 10.1021/acs.jcim.3c00122. Epub 2023 Apr 3. J Chem Inf Model. 2023. PMID: 37010474

4

Benchmarking In Silico Tools for Cysteine pK_a Prediction.

Awoonor-Williams E, Golosov AA, Hornak V. Awoonor-Williams E, et al. J Chem Inf Model. 2023 Apr 10;63(7):2170-2180. doi: 10.1021/acs.jcim.3c00004. Epub 2023 Mar 30. J Chem Inf Model. 2023. PMID: 36996330

5

Novel irreversible peptidic inhibitors of transglutaminase 2.

Cundy NJ, Arciszewski J, Gates EWJ, Acton SL, Passley KD, Awoonor-Williams E, Boyd EK, Xu N, Pierson É, Fernandez-Ansieta C, Albert MR, McNeil NMR, Adhikary G, Eckert RL, Keillor JW. Cundy NJ, et al. Among authors: awoonor williams e. RSC Med Chem. 2022 Dec 28;14(2):378-385. doi: 10.1039/d2md00417h. eCollection 2023 Feb 22. RSC Med Chem. 2022. PMID: 36846375 Free PMC article.

6

Estimating the binding energetics of reversible covalent inhibitors of the SARS-CoV-2 main protease: an in silico study.

Awoonor-Williams E. Awoonor-Williams E. Phys Chem Chem Phys. 2022 Oct 5;24(38):23391-23401. doi: 10.1039/d2cp03080b. Phys Chem Chem Phys. 2022. PMID: 36128834

7

Modeling the Binding and Conformational Energetics of a Targeted Covalent Inhibitor to Bruton's Tyrosine Kinase.

Awoonor-Williams E, Rowley CN. Awoonor-Williams E, et al. J Chem Inf Model. 2021 Oct 25;61(10):5234-5242. doi: 10.1021/acs.jcim.1c00897. Epub 2021 Sep 30. J Chem Inf Model. 2021. PMID: 34590480

8

Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease.

Awoonor-Williams E , Abu-Saleh AAA . Awoonor-Williams E , et al. Phys Chem Chem Phys. 2021 Mar 21;23(11):6746-6757. doi: 10.1039/d1cp00266j. Epub 2021 Mar 12. Phys Chem Chem Phys. 2021. PMID: 33711090

9

Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols.

Awoonor-Williams E, Isley WC 3rd, Dale SG, Johnson ER, Yu H, Becke AD, Roux B, Rowley CN. Awoonor-Williams E, et al. J Comput Chem. 2020 Feb 15;41(5):427-438. doi: 10.1002/jcc.26064. Epub 2019 Sep 11. J Comput Chem. 2020. PMID: 31512279

10

How Reactive are Druggable Cysteines in Protein Kinases?

Awoonor-Williams E, Rowley CN. Awoonor-Williams E, et al. J Chem Inf Model. 2018 Sep 24;58(9):1935-1946. doi: 10.1021/acs.jcim.8b00454. Epub 2018 Aug 29. J Chem Inf Model. 2018. PMID: 30118220

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