Flower DR - Search Results

1

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

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

2

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. Among authors: flower dr. J Comput Chem. 2004 Nov 30;25(15):1803-13. doi: 10.1002/jcc.20100. J Comput Chem. 2004. PMID: 15386470

3

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: flower dr. J Immunol. 2005 Aug 1;175(3):1715-23. doi: 10.4049/jimmunol.175.3.1715. J Immunol. 2005. PMID: 16034112

4

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: flower dr. 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

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: flower dr. 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

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. Novartis Found Symp. 2003;254:102-20; discussion 120-5, 216-22, 250-2. Novartis Found Symp. 2003. PMID: 14712934 Review.

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. 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

The classification of HLA supertypes by GRID/CPCA and hierarchical clustering methods.

Guan P, Doytchinova IA, Flower DR. Guan P, et al. Among authors: flower dr. Methods Mol Biol. 2007;409:143-54. doi: 10.1007/978-1-60327-118-9_9. Methods Mol Biol. 2007. PMID: 18449997

9

In silico identification of novel G protein coupled receptors.

Davies MN, Flower DR. Davies MN, et al. Among authors: flower dr. Methods Mol Biol. 2009;528:25-36. doi: 10.1007/978-1-60327-310-7_2. Methods Mol Biol. 2009. PMID: 19153682

10

Toward the prediction of class I and II mouse major histocompatibility complex-peptide-binding affinity: in silico bioinformatic step-by-step guide using quantitative structure-activity relationships.

Hattotuwagama CK, Doytchinova IA, Flower DR. Hattotuwagama CK, et al. Among authors: flower dr. Methods Mol Biol. 2007;409:227-45. doi: 10.1007/978-1-60327-118-9_16. Methods Mol Biol. 2007. PMID: 18450004

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