Coveney PV - Search Results

1

Computational vaccinology: quantitative approaches.

Flower DR, McSparron H, Blythe MJ, Zygouri C, Taylor D, Guan P, Wan S, Coveney PV, Walshe V, Borrow P, Doytchinova IA. Flower DR, et al. Among authors: coveney pv. Novartis Found Symp. 2003;254:102-20; discussion 120-5, 216-22, 250-2. Novartis Found Symp. 2003. PMID: 14712934 Review.

2

Peptide recognition by the T cell receptor: comparison of binding free energies from thermodynamic integration, Poisson-Boltzmann and linear interaction energy approximations.

Wan S, Coveney PV, Flower DR. Wan S, et al. Among authors: coveney pv. Philos Trans A Math Phys Eng Sci. 2005 Aug 15;363(1833):2037-53. doi: 10.1098/rsta.2005.1627. Philos Trans A Math Phys Eng Sci. 2005. PMID: 16099765

3

Molecular dynamics simulations: bring biomolecular structures alive on a computer.

Wan S, Coveney PV, Flower DR. Wan S, et al. Among authors: coveney pv. Methods Mol Biol. 2007;409:321-39. doi: 10.1007/978-1-60327-118-9_24. Methods Mol Biol. 2007. PMID: 18450012

4

Large-scale molecular dynamics simulations of HLA-A*0201 complexed with a tumor-specific antigenic peptide: can the alpha3 and beta2m domains be neglected?

Wan S, Coveney P, Flower DR. Wan S, et al. J Comput Chem. 2004 Nov 30;25(15):1803-13. doi: 10.1002/jcc.20100. J Comput Chem. 2004. PMID: 15386470

5

Toward an atomistic understanding of the immune synapse: large-scale molecular dynamics simulation of a membrane-embedded TCR-pMHC-CD4 complex.

Wan S, Flower DR, Coveney PV. Wan S, et al. Among authors: coveney pv. Mol Immunol. 2008 Mar;45(5):1221-30. doi: 10.1016/j.molimm.2007.09.022. Epub 2007 Nov 5. Mol Immunol. 2008. PMID: 17980430

6

Molecular basis of peptide recognition by the TCR: affinity differences calculated using large scale computing.

Wan S, Coveney PV, Flower DR. Wan S, et al. Among authors: coveney pv. J Immunol. 2005 Aug 1;175(3):1715-23. doi: 10.4049/jimmunol.175.3.1715. J Immunol. 2005. PMID: 16034112

7

T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challenges.

Flower DR, Phadwal K, Macdonald IK, Coveney PV, Davies MN, Wan S. Flower DR, et al. Among authors: coveney pv. Immunome Res. 2010 Nov 3;6 Suppl 2(Suppl 2):S4. doi: 10.1186/1745-7580-6-S2-S4. Immunome Res. 2010. PMID: 21067546 Free PMC article.

8

Monotopic enzymes and lipid bilayers: a comparative study.

Fowler PW, Balali-Mood K, Deol S, Coveney PV, Sansom MS. Fowler PW, et al. Among authors: coveney pv. Biochemistry. 2007 Mar 20;46(11):3108-15. doi: 10.1021/bi602455n. Epub 2007 Feb 21. Biochemistry. 2007. PMID: 17311421

9

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: coveney pv. 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

10

Molecular dynamics simulation reveals structural and thermodynamic features of kinase activation by cancer mutations within the epidermal growth factor receptor.

Wan S, Coveney PV. Wan S, et al. Among authors: coveney pv. J Comput Chem. 2011 Oct;32(13):2843-52. doi: 10.1002/jcc.21866. Epub 2011 Jun 30. J Comput Chem. 2011. PMID: 21717480

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