Zasada SJ - Search Results

1

Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases.

Sadiq SK, Wright D, Watson SJ, Zasada SJ, Stoica I, Coveney PV. Sadiq SK, et al. Among authors: zasada sj. J Chem Inf Model. 2008 Sep;48(9):1909-19. doi: 10.1021/ci8000937. Epub 2008 Aug 19. J Chem Inf Model. 2008. PMID: 18710212

2

Patient-specific simulation as a basis for clinical decision-making.

Sadiq SK, Mazzeo MD, Zasada SJ, Manos S, Stoica I, Gale CV, Watson SJ, Kellam P, Brew S, Coveney PV. Sadiq SK, et al. Among authors: zasada sj. Philos Trans A Math Phys Eng Sci. 2008 Sep 13;366(1878):3199-219. doi: 10.1098/rsta.2008.0100. Philos Trans A Math Phys Eng Sci. 2008. PMID: 18573758

3

Large-scale binding affinity calculations on commodity compute clouds.

Zasada SJ, Wright DW, Coveney PV. Zasada SJ, et al. Interface Focus. 2020 Dec 6;10(6):20190133. doi: 10.1098/rsfs.2019.0133. Epub 2020 Oct 16. Interface Focus. 2020. PMID: 33178415 Free PMC article.

4

Rapid, accurate, precise and reproducible ligand-protein binding free energy prediction.

Wan S, Bhati AP, Zasada SJ, Coveney PV. Wan S, et al. Among authors: zasada sj. Interface Focus. 2020 Dec 6;10(6):20200007. doi: 10.1098/rsfs.2020.0007. Epub 2020 Oct 16. Interface Focus. 2020. PMID: 33178418 Free PMC article. Review.

5

Petascale lattice-Boltzmann studies of amphiphilic cubic liquid crystalline materials in a globally distributed high-performance computing and visualization environment.

Saksena RS, Mazzeo MD, Zasada SJ, Coveney PV. Saksena RS, et al. Among authors: zasada sj. Philos Trans A Math Phys Eng Sci. 2010 Aug 28;368(1925):3983-99. doi: 10.1098/rsta.2010.0160. Philos Trans A Math Phys Eng Sci. 2010. PMID: 20643689

6

From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine.

Wright DW, Wan S, Shublaq N, Zasada SJ, Coveney PV. Wright DW, et al. Among authors: zasada sj. Wiley Interdiscip Rev Syst Biol Med. 2012 Nov-Dec;4(6):585-98. doi: 10.1002/wsbm.1186. Epub 2012 Aug 15. Wiley Interdiscip Rev Syst Biol Med. 2012. PMID: 22899636 Review.

7

Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational Study.

Wan S, Bhati AP, Zasada SJ, Wall I, Green D, Bamborough P, Coveney PV. Wan S, et al. Among authors: zasada sj. J Chem Theory Comput. 2017 Feb 14;13(2):784-795. doi: 10.1021/acs.jctc.6b00794. Epub 2017 Jan 18. J Chem Theory Comput. 2017. PMID: 28005370 Free PMC article.

8

High-throughput binding affinity calculations at extreme scales.

Dakka J, Turilli M, Wright DW, Zasada SJ, Balasubramanian V, Wan S, Coveney PV, Jha S. Dakka J, et al. Among authors: zasada sj. BMC Bioinformatics. 2018 Dec 21;19(Suppl 18):482. doi: 10.1186/s12859-018-2506-6. BMC Bioinformatics. 2018. PMID: 30577753 Free PMC article.

9

On the usability of grid middleware and security mechanisms.

Zasada SJ, Haidar AN, Coveney PV. Zasada SJ, et al. Philos Trans A Math Phys Eng Sci. 2011 Aug 28;369(1949):3413-28. doi: 10.1098/rsta.2011.0131. Philos Trans A Math Phys Eng Sci. 2011. PMID: 21768148

10

Audited credential delegation: a usable security solution for the virtual physiological human toolkit.

Haidar AN, Zasada SJ, Coveney PV, Abdallah AE, Beckles B, Jones MA. Haidar AN, et al. Among authors: zasada sj. Interface Focus. 2011 Jun 6;1(3):462-73. doi: 10.1098/rsfs.2010.0026. Epub 2011 Mar 30. Interface Focus. 2011. PMID: 22670214 Free PMC article.

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