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Items: 1 to 20 of 24


Automated drug design of kinase inhibitors to treat Chronic Myeloid Leukemia.

Malkhasian AYS, Howlin BJ.

J Mol Graph Model. 2019 May 20;91:52-60. doi: 10.1016/j.jmgm.2019.05.014. [Epub ahead of print]


Examining the Influence of Anion Nucleophilicity on the Polymerisation Initiation Mechanism of Phenyl Glycidyl Ether.

Binks FC, Cavalli G, Henningsen M, Howlin BJ, Hamerton I.

Polymers (Basel). 2019 Apr 10;11(4). pii: E657. doi: 10.3390/polym11040657.


Exploring Structure⁻Property Relationships in Aromatic Polybenzoxazines Through Molecular Simulation.

Thompson S, Stone CA, Howlin BJ, Hamerton I.

Polymers (Basel). 2018 Nov 12;10(11). pii: E1250. doi: 10.3390/polym10111250.


Calix[4]arene urea derivatives: The pathway from fundamental studies to the selective removal of fluorides and phosphates from water.

Danil de Namor AFD, Hamdan WA, Webb O, Bance-Soualhi R, Howlin B, Al Hakawati N.

J Hazard Mater. 2019 Feb 15;364:733-741. doi: 10.1016/j.jhazmat.2018.07.025. Epub 2018 Jul 6.


Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.

Lisgarten DR, Palmer RA, Lobley CMC, Naylor CE, Chowdhry BZ, Al-Kurdi ZI, Badwan AA, Howlin BJ, Gibbons NCJ, Saldanha JW, Lisgarten JN, Basak AK.

Chem Cent J. 2017 Aug 1;11(1):73. doi: 10.1186/s13065-017-0296-y.


A calix[4]arene derivative and its selective interaction with drugs (clofibric acid, diclofenac and aspirin).

Danil de Namor AF, Al Nuaim M, Villanueva Salas JA, Bryant S, Howlin B.

Eur J Pharm Sci. 2017 Mar 30;100:1-8. doi: 10.1016/j.ejps.2016.12.027. Epub 2017 Jan 4.


p22phox C242T Single-Nucleotide Polymorphism Inhibits Inflammatory Oxidative Damage to Endothelial Cells and Vessels.

Meijles DN, Fan LM, Ghazaly MM, Howlin B, Krönke M, Brooks G, Li JM.

Circulation. 2016 Jun 14;133(24):2391-403. doi: 10.1161/CIRCULATIONAHA.116.021993. Epub 2016 May 9.


Developing (Quantitative Structure Property Relationships) QSPR Techniques to Predict the Char Formation of Polybenzoxazines.

Sairi M, Howlin B, Hamerton I.

Polymers (Basel). 2016 Apr 25;8(5). pii: E166. doi: 10.3390/polym8050166.


Docking and DFT studies on ligand binding to Quercetin 2,3-dioxygenase.

Malkhasian AY, Howlin BJ.

J Biomol Struct Dyn. 2016 Nov;34(11):2453-61. doi: 10.1080/07391102.2015.1123190. Epub 2016 Feb 2.


Size and molecular flexibility affect the binding of ellagitannins to bovine serum albumin.

Dobreva MA, Green RJ, Mueller-Harvey I, Salminen JP, Howlin BJ, Frazier RA.

J Agric Food Chem. 2014 Sep 17;62(37):9186-94. doi: 10.1021/jf502174r. Epub 2014 Sep 9.


Molecular insights of p47phox phosphorylation dynamics in the regulation of NADPH oxidase activation and superoxide production.

Meijles DN, Fan LM, Howlin BJ, Li JM.

J Biol Chem. 2014 Aug 15;289(33):22759-70. doi: 10.1074/jbc.M114.561159. Epub 2014 Jun 26.


Feature combination networks for the interpretation of statistical machine learning models: application to Ames mutagenicity.

Webb SJ, Hanser T, Howlin B, Krause P, Vessey JD.

J Cheminform. 2014 Mar 25;6(1):8. doi: 10.1186/1758-2946-6-8.


Examining the Initiation of the Polymerization Mechanism and Network Development in Aromatic Polybenzoxazines.

Hamerton I, McNamara LT, Howlin BJ, Smith PA, Cross P, Ward S.

Macromolecules. 2013 Jul 9;46(13):5117-5132. Epub 2013 Jun 26.


Modelling species selectivity in rat and human cytochrome P450 2D enzymes.

Edmund GH, Lewis DF, Howlin BJ.

PLoS One. 2013 May 14;8(5):e63335. doi: 10.1371/journal.pone.0063335. Print 2013.


X-ray structures of two forms of the antibiotic oligomycin A: an inhibitor of ATP synthase.

Palmer RA, Ladd M, Howlin B, Lisgarten DR.

Future Med Chem. 2013 May;5(8):881-93. doi: 10.4155/fmc.13.68.


Prediction of selected physical and mechanical properties of a telechelic polybenzoxazine by molecular simulation.

Wan Hassan WA, Hamerton I, Howlin BJ.

PLoS One. 2013;8(4):e61179. doi: 10.1371/journal.pone.0061179. Epub 2013 Apr 8.


Using combined computational techniques to predict the glass transition temperatures of aromatic polybenzoxazines.

Mhlanga P, Wan Hassan WA, Hamerton I, Howlin BJ.

PLoS One. 2013;8(1):e53367. doi: 10.1371/journal.pone.0053367. Epub 2013 Jan 10.


Quantifying the effect of polymer blending through molecular modelling of cyanurate polymers.

Crawford AO, Hamerton I, Cavalli G, Howlin BJ.

PLoS One. 2012;7(9):e44487. doi: 10.1371/journal.pone.0044487. Epub 2012 Sep 6.


Solving the problem of building models of crosslinked polymers: an example focussing on validation of the properties of crosslinked epoxy resins.

Hall SA, Howlin BJ, Hamerton I, Baidak A, Billaud C, Ward S.

PLoS One. 2012;7(8):e42928. doi: 10.1371/journal.pone.0042928. Epub 2012 Aug 20.


Predicting glass transition temperatures of polyarylethersulphones using QSPR methods.

Hamerton I, Howlin BJ, Kamyszek G.

PLoS One. 2012;7(6):e38424. doi: 10.1371/journal.pone.0038424. Epub 2012 Jun 15.

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