Doughty SW - Search Results

1

Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment.

Loo JSE, Emtage AL, Ng KW, Yong ASJ, Doughty SW. Loo JSE, et al. Among authors: doughty sw. J Mol Graph Model. 2018 Mar;80:38-47. doi: 10.1016/j.jmgm.2017.12.017. Epub 2017 Dec 29. J Mol Graph Model. 2018. PMID: 29306746

2

Evaluating the performance of MM/PBSA for binding affinity prediction using class A GPCR crystal structures.

Yau MQ, Emtage AL, Chan NJY, Doughty SW, Loo JSE. Yau MQ, et al. Among authors: doughty sw. J Comput Aided Mol Des. 2019 May;33(5):487-496. doi: 10.1007/s10822-019-00201-3. Epub 2019 Apr 15. J Comput Aided Mol Des. 2019. PMID: 30989574

3

Toward activated homology models of the human M1 muscarinic acetylcholine receptor.

Chin SP, Buckle MJ, Chalmers DK, Yuriev E, Doughty SW. Chin SP, et al. Among authors: doughty sw. J Mol Graph Model. 2014 Apr;49:91-8. doi: 10.1016/j.jmgm.2014.02.002. Epub 2014 Feb 25. J Mol Graph Model. 2014. PMID: 24631873

4

Development and Validation of Decision Forest Model for Estrogen Receptor Binding Prediction of Chemicals Using Large Data Sets.

Ng HW, Doughty SW, Luo H, Ye H, Ge W, Tong W, Hong H. Ng HW, et al. Among authors: doughty sw. Chem Res Toxicol. 2015 Dec 21;28(12):2343-51. doi: 10.1021/acs.chemrestox.5b00358. Epub 2015 Nov 12. Chem Res Toxicol. 2015. PMID: 26524122

5

Homology modeling of the human 5-HT1A, 5-HT 2A, D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation.

Yap BK, Buckle MJ, Doughty SW. Yap BK, et al. Among authors: doughty sw. J Mol Model. 2012 Aug;18(8):3639-55. doi: 10.1007/s00894-012-1368-5. Epub 2012 Feb 22. J Mol Model. 2012. PMID: 22354276

6

Modelling the restoration of wild-type dynamic behaviour in DeltaF508-CFTR NBD1 by 8-cyclopentyl-1,3-dipropylxanthine.

Warner DJ, Vadolia MM, Laughton CA, Kerr ID, Doughty SW. Warner DJ, et al. Among authors: doughty sw. J Mol Graph Model. 2007 Oct;26(3):691-9. doi: 10.1016/j.jmgm.2007.04.005. Epub 2007 Apr 24. J Mol Graph Model. 2007. PMID: 17531517

7

Molecular dynamics simulations of the adenosine A2a receptor: structural stability, sampling, and convergence.

Ng HW, Laughton CA, Doughty SW. Ng HW, et al. Among authors: doughty sw. J Chem Inf Model. 2013 May 24;53(5):1168-78. doi: 10.1021/ci300610w. Epub 2013 Apr 25. J Chem Inf Model. 2013. PMID: 23514445

8

Flavonoids with M1 muscarinic acetylcholine receptor binding activity.

Swaminathan M, Chee CF, Chin SP, Buckle MJ, Rahman NA, Doughty SW, Chung LY. Swaminathan M, et al. Among authors: doughty sw. Molecules. 2014 Jun 27;19(7):8933-48. doi: 10.3390/molecules19078933. Molecules. 2014. PMID: 24979399 Free PMC article.

9

In vitro functional evaluation of isolaureline, dicentrine and glaucine enantiomers at 5-HT₂ and α₁ receptors.

Heng HL, Chee CF, Thy CK, Tee JT, Chin SP, Herr DR, Buckle MJC, Paterson IC, Doughty SW, Abd Rahman N, Chung LY. Heng HL, et al. Among authors: doughty sw. Chem Biol Drug Des. 2019 Feb;93(2):132-138. doi: 10.1111/cbdd.13390. Epub 2018 Oct 3. Chem Biol Drug Des. 2019. PMID: 30216681

10

Molecular dynamics simulations of the adenosine A2a receptor in POPC and POPE lipid bilayers: effects of membrane on protein behavior.

Ng HW, Laughton CA, Doughty SW. Ng HW, et al. Among authors: doughty sw. J Chem Inf Model. 2014 Feb 24;54(2):573-81. doi: 10.1021/ci400463z. Epub 2014 Feb 7. J Chem Inf Model. 2014. PMID: 24460123

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