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Mercury 4.0: from visualization to analysis, design and prediction.
J Appl Crystallogr. 2020 Feb 1;53(Pt 1):226-235. doi: 10.1107/S1600576719014092. eCollection 2020 Feb 1.
J Appl Crystallogr. 2020.
PMID: 32047413
Free PMC article.
Validating and understanding ring conformations using small molecule crystallographic data.
Cottrell SJ, Olsson TS, Taylor R, Cole JC, Liebeschuetz JW.
Cottrell SJ, et al.
J Chem Inf Model. 2012 Apr 23;52(4):956-62. doi: 10.1021/ci200439d. Epub 2012 Mar 16.
J Chem Inf Model. 2012.
PMID: 22372622
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Incorporating partial matches within multi-objective pharmacophore identification.
Cottrell SJ, Gillet VJ, Taylor R.
Cottrell SJ, et al.
J Comput Aided Mol Des. 2006 Dec;20(12):735-49. doi: 10.1007/s10822-006-9086-7. Epub 2007 Jan 4.
J Comput Aided Mol Des. 2006.
PMID: 17203366
Free article.
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Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques.
Cottrell SJ, Gillet VJ, Taylor R, Wilton DJ.
Cottrell SJ, et al.
J Comput Aided Mol Des. 2004 Nov;18(11):665-82. doi: 10.1007/s10822-004-5523-7.
J Comput Aided Mol Des. 2004.
PMID: 15865060
Free article.
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Beyond the halogen bond: general discussion.
Aakeröy CB, Alavi S, Beer PD, Beyeh NK, Brammer L, Bryce DL, Clark T, Cottrell SJ, Del Bene JE, Edwards AJ, Esterhuysen C, Friščić T, Guru Row TN, Kennepohl P, Lloyd GO, Roy Choudhury A, Scheiner S, Southern SA, Taylor MS, Tsuzuki S, Vargas-Baca I.
Aakeröy CB, et al. Among authors: cottrell sj.
Faraday Discuss. 2017 Oct 13;203:227-244. doi: 10.1039/c7fd90062g.
Faraday Discuss. 2017.
PMID: 28971194
No abstract available.
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Solid-state chemistry and applications: general discussion.
Aakeröy CB, Alavi S, Beyeh NK, Brammer L, Branca M, Bryce DL, Christopherson JC, Clark T, Cottrell SJ, Del Bene JE, Dichiarante V, Edwards AJ, Erdelyi M, Esterhuysen C, Fourmigué M, Friščić T, Kennepohl P, Legon AC, Lloyd GO, Murray JS, Mustoe CL, Pennington WT, Rosokha SV, Roy Choudhury A, Scheiner S, Szell PMJ, Taylor MS, Tsuzuki S.
Aakeröy CB, et al. Among authors: cottrell sj.
Faraday Discuss. 2017 Oct 13;203:459-483. doi: 10.1039/c7fd90064c.
Faraday Discuss. 2017.
PMID: 28967659
No abstract available.
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