Hirst JD - Search Results

1

Probing Polyoxometalate-Protein Interactions Using Molecular Dynamics Simulations.

Solé-Daura A, Goovaerts V, Stroobants K, Absillis G, Jiménez-Lozano P, Poblet JM, Hirst JD, Parac-Vogt TN, Carbó JJ. Solé-Daura A, et al. Among authors: hirst jd. Chemistry. 2016 Oct 17;22(43):15280-15289. doi: 10.1002/chem.201602263. Epub 2016 Aug 17. Chemistry. 2016. PMID: 27531593

2

Molecular dynamics simulations of a helicase.

Cox K, Watson T, Soultanas P, Hirst JD. Cox K, et al. Among authors: hirst jd. Proteins. 2003 Aug 1;52(2):254-62. doi: 10.1002/prot.10400. Proteins. 2003. PMID: 12833548 Free PMC article.

3

Molecular simulations and visualization: introduction and overview.

Hirst JD, Glowacki DR, Baaden M. Hirst JD, et al. Faraday Discuss. 2014;169:9-22. doi: 10.1039/c4fd90024c. Epub 2014 Oct 6. Faraday Discuss. 2014. PMID: 25285906

4

Docking and molecular dynamics simulations of the ternary complex nisin2:lipid II.

Mulholland S, Turpin ER, Bonev BB, Hirst JD. Mulholland S, et al. Among authors: hirst jd. Sci Rep. 2016 Feb 18;6:21185. doi: 10.1038/srep21185. Sci Rep. 2016. PMID: 26888784 Free PMC article.

5

Late-Stage Functionalization by Chan-Lam Amination: Rapid Access to Potent and Selective Integrin Inhibitors.

Robinson H, Oatley SA, Rowedder JE, Slade P, Macdonald SJF, Argent SP, Hirst JD, McInally T, Moody CJ. Robinson H, et al. Among authors: hirst jd. Chemistry. 2020 Jun 18;26(34):7678-7684. doi: 10.1002/chem.202001059. Epub 2020 May 26. Chemistry. 2020. PMID: 32129907

6

Cysteine-Selective Modification of Peptides and Proteins via Desulfurative C-C Bond Formation.

Griffiths RC, Smith FR, Li D, Wyatt J, Rogers DM, Long JE, Cusin LML, Tighe PJ, Layfield R, Hirst JD, Müller MM, Mitchell NJ. Griffiths RC, et al. Among authors: hirst jd. Chemistry. 2023 Mar 16;29(16):e202202503. doi: 10.1002/chem.202202503. Epub 2023 Feb 14. Chemistry. 2023. PMID: 36534955 Free PMC article.

7

Gibbs ensemble Monte Carlo simulations of binary mixtures of methane, difluoromethane, and carbon dioxide.

Do H, Wheatley RJ, Hirst JD. Do H, et al. Among authors: hirst jd. J Phys Chem B. 2010 Mar 25;114(11):3879-86. doi: 10.1021/jp909769c. J Phys Chem B. 2010. PMID: 20184300

8

Structural insights into the two sequential folding transition states of the PB1 domain of NBR1 from Φ value analysis and biased molecular dynamics simulations.

Chen P, Evans CL, Hirst JD, Searle MS. Chen P, et al. Among authors: hirst jd. Biochemistry. 2011 Jan 11;50(1):125-35. doi: 10.1021/bi1016793. Epub 2010 Dec 8. Biochemistry. 2011. PMID: 21121670

9

Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain.

Hussain A, Shaw PE, Hirst JD. Hussain A, et al. Among authors: hirst jd. J Cheminform. 2011 Nov 1;3(1):49. doi: 10.1186/1758-2946-3-49. J Cheminform. 2011. PMID: 22044511 Free PMC article.

10

Unfolding Dynamics of a Photoswitchable Helical Peptide.

Auvray F, Hirst JD. Auvray F, et al. Among authors: hirst jd. J Phys Chem B. 2020 Jul 2;124(26):5380-5392. doi: 10.1021/acs.jpcb.0c04017. Epub 2020 Jun 18. J Phys Chem B. 2020. PMID: 32515979

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