Allison JR - Search Results

1

When can we trust structural models derived from pair distribution function measurements?

Maffettone PM, Fletcher WJK, Nicholas TC, Deringer VL, Allison JR, Smith LJ, Goodwin AL. Maffettone PM, et al. Among authors: allison jr. Faraday Discuss. 2024 Sep 11. doi: 10.1039/d4fd00106k. Online ahead of print. Faraday Discuss. 2024. PMID: 39258486 Free PMC article.

2

Multiple binding modes for palmitate to barley lipid transfer protein facilitated by the presence of proline 12.

Smith LJ, Gunsteren WF, Allison JR. Smith LJ, et al. Among authors: allison jr. Protein Sci. 2013 Jan;22(1):56-64. doi: 10.1002/pro.2184. Protein Sci. 2013. PMID: 23139016 Free PMC article.

3

Molecular dynamics simulations of barley and maize lipid transfer proteins show different ligand binding preferences in agreement with experimental data.

Smith LJ, Roby Y, Allison JR, van Gunsteren WF. Smith LJ, et al. Among authors: allison jr. Biochemistry. 2013 Jul 30;52(30):5029-38. doi: 10.1021/bi4006573. Epub 2013 Jul 18. Biochemistry. 2013. PMID: 23834513

4

Deriving Structural Information from Experimentally Measured Data on Biomolecules.

van Gunsteren WF, Allison JR, Daura X, Dolenc J, Hansen N, Mark AE, Oostenbrink C, Rusu VH, Smith LJ. van Gunsteren WF, et al. Among authors: allison jr. Angew Chem Int Ed Engl. 2016 Dec 23;55(52):15990-16010. doi: 10.1002/anie.201601828. Epub 2016 Nov 8. Angew Chem Int Ed Engl. 2016. PMID: 27862777 Review.

5

Probing the Structure and Dynamics of Proteins by Combining Molecular Dynamics Simulations and Experimental NMR Data.

Allison JR, Hertig S, Missimer JH, Smith LJ, Steinmetz MO, Dolenc J. Allison JR, et al. J Chem Theory Comput. 2012 Oct 9;8(10):3430-44. doi: 10.1021/ct300393b. Epub 2012 Jul 30. J Chem Theory Comput. 2012. PMID: 26592994

6

Molecular Dynamics Simulation of the Interaction of Two Linear Battacin Analogs with Model Gram-Positive and Gram-Negative Bacterial Cell Membranes.

Chakraborty A, Kobzev E, Chan J, de Zoysa GH, Sarojini V, Piggot TJ, Allison JR. Chakraborty A, et al. Among authors: allison jr. ACS Omega. 2020 Dec 22;6(1):388-400. doi: 10.1021/acsomega.0c04752. eCollection 2021 Jan 12. ACS Omega. 2020. PMID: 33458490 Free PMC article.

7

Peppy: A virtual reality environment for exploring the principles of polypeptide structure.

Doak DG, Denyer GS, Gerrard JA, Mackay JP, Allison JR. Doak DG, et al. Among authors: allison jr. Protein Sci. 2020 Jan;29(1):157-168. doi: 10.1002/pro.3752. Epub 2019 Nov 11. Protein Sci. 2020. PMID: 31622516 Free PMC article.

8

Structural Phylogenetics with Confidence.

Malik AJ, Poole AM, Allison JR. Malik AJ, et al. Among authors: allison jr. Mol Biol Evol. 2020 Sep 1;37(9):2711-2726. doi: 10.1093/molbev/msaa100. Mol Biol Evol. 2020. PMID: 32302382 Free PMC article.

9

Computational methods for exploring protein conformations.

Allison JR. Allison JR. Biochem Soc Trans. 2020 Aug 28;48(4):1707-1724. doi: 10.1042/BST20200193. Biochem Soc Trans. 2020. PMID: 32756904 Free PMC article. Review.

10

Molecular Dynamics Simulation of Proteins.

Collier TA, Piggot TJ, Allison JR. Collier TA, et al. Among authors: allison jr. Methods Mol Biol. 2020;2073:311-327. doi: 10.1007/978-1-4939-9869-2_17. Methods Mol Biol. 2020. PMID: 31612449

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