Hornak V[au] - Search Results

Year	Number of Results
1998	1
1999	1
2002	1
2003	2
2004	1
2005	4
2006	11
2007	5
2008	1
2009	3
2010	1
2011	1
2012	3
2013	1
2015	2
2016	4
2017	4
2018	2
2019	3
2020	3
2021	1
2022	1
2023	3
2024	1

1

Activation of human STING by a molecular glue-like compound.

Li J, Canham SM, Wu H, Henault M, Chen L, Liu G, Chen Y, Yu G, Miller HR, Hornak V, Brittain SM, Michaud GA, Tutter A, Broom W, Digan ME, McWhirter SM, Sivick KE, Pham HT, Chen CH, Tria GS, McKenna JM, Schirle M, Mao X, Nicholson TB, Wang Y, Jenkins JL, Jain RK, Tallarico JA, Patel SJ, Zheng L, Ross NT, Cho CY, Zhang X, Bai XC, Feng Y. Li J, et al. Among authors: hornak v. Nat Chem Biol. 2024 Mar;20(3):365-372. doi: 10.1038/s41589-023-01434-y. Epub 2023 Oct 12. Nat Chem Biol. 2024. PMID: 37828400 Free PMC article.

2

Benchmarking In Silico Tools for Cysteine pK_a Prediction.

Awoonor-Williams E, Golosov AA, Hornak V. Awoonor-Williams E, et al. Among authors: hornak v. 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

3

Targeting structural flexibility in HIV-1 protease inhibitor binding.

Hornak V, Simmerling C. Hornak V, et al. Drug Discov Today. 2007 Feb;12(3-4):132-8. doi: 10.1016/j.drudis.2006.12.011. Epub 2006 Dec 20. Drug Discov Today. 2007. PMID: 17275733 Free PMC article. Review.

4

HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open state.

Hornak V, Okur A, Rizzo RC, Simmerling C. Hornak V, et al. J Am Chem Soc. 2006 Mar 8;128(9):2812-3. doi: 10.1021/ja058211x. J Am Chem Soc. 2006. PMID: 16506755 Free PMC article.

5

Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology.

Pearlstein RA, McKay DJJ, Hornak V, Dickson C, Golosov A, Harrison T, Velez-Vega C, Duca J. Pearlstein RA, et al. Among authors: hornak v. Curr Top Med Chem. 2017;17(23):2642-2662. doi: 10.2174/1568026617666170414152311. Curr Top Med Chem. 2017. PMID: 28413952 Review.

6

Relative Binding Free-Energy Calculations at Lipid-Exposed Sites: Deciphering Hot Spots.

Dickson CJ, Hornak V, Duca JS. Dickson CJ, et al. Among authors: hornak v. J Chem Inf Model. 2021 Dec 27;61(12):5923-5930. doi: 10.1021/acs.jcim.1c01147. Epub 2021 Nov 29. J Chem Inf Model. 2021. PMID: 34843243

7

Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics.

Badaoui M, Buigues PJ, Berta D, Mandana GM, Gu H, Földes T, Dickson CJ, Hornak V, Kato M, Molteni C, Parsons S, Rosta E. Badaoui M, et al. Among authors: hornak v. J Chem Theory Comput. 2022 Apr 12;18(4):2543-2555. doi: 10.1021/acs.jctc.1c00924. Epub 2022 Feb 23. J Chem Theory Comput. 2022. PMID: 35195418 Free PMC article.

8

Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules.

Dickson CJ, Hornak V, Bednarczyk D, Duca JS. Dickson CJ, et al. Among authors: hornak v. J Chem Inf Model. 2019 Jan 28;59(1):236-244. doi: 10.1021/acs.jcim.8b00744. Epub 2018 Dec 26. J Chem Inf Model. 2019. PMID: 30540467

9

Structure-Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling.

Dickson CJ, Hornak V, Pearlstein RA, Duca JS. Dickson CJ, et al. Among authors: hornak v. J Am Chem Soc. 2017 Jan 11;139(1):442-452. doi: 10.1021/jacs.6b11215. Epub 2016 Dec 21. J Am Chem Soc. 2017. PMID: 27951634

10

Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.

Bussiere DE, Xie L, Srinivas H, Shu W, Burke A, Be C, Zhao J, Godbole A, King D, Karki RG, Hornak V, Xu F, Cobb J, Carte N, Frank AO, Frommlet A, Graff P, Knapp M, Fazal A, Okram B, Jiang S, Michellys PY, Beckwith R, Voshol H, Wiesmann C, Solomon JM, Paulk J. Bussiere DE, et al. Among authors: hornak v. Nat Chem Biol. 2020 Jan;16(1):15-23. doi: 10.1038/s41589-019-0411-6. Epub 2019 Dec 9. Nat Chem Biol. 2020. PMID: 31819272

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