Clark T - Search Results

1

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution.

Haensele E, Mele N, Miljak M, Read CM, Whitley DC, Banting L, Delépée C, Sopkova-de Oliveira Santos J, Lepailleur A, Bureau R, Essex JW, Clark T. Haensele E, et al. Among authors: clark t. J Chem Inf Model. 2017 Feb 27;57(2):298-310. doi: 10.1021/acs.jcim.6b00706. Epub 2017 Jan 23. J Chem Inf Model. 2017. PMID: 28055189 Free article.

2

Surface-integral QSPR models: local energy properties.

Ehresmann B, de Groot MJ, Clark T. Ehresmann B, et al. Among authors: clark t. J Chem Inf Model. 2005 Jul-Aug;45(4):1053-60. doi: 10.1021/ci050025n. J Chem Inf Model. 2005. PMID: 16045301

3

The structure of 5a,6-anhydrotetracycline and its Mg2+ complexes in aqueous solution.

Othersen OG, Lanig H, Clark T. Othersen OG, et al. Among authors: clark t. J Mol Model. 2006 Sep;12(6):953-63. doi: 10.1007/s00894-005-0055-1. Epub 2006 May 3. J Mol Model. 2006. PMID: 16670875

4

Sharpening the toolbox of computational chemistry: a new approximation of critical f-values for multiple linear regression.

Kramer C, Tautermann CS, Livingstone DJ, Salt DW, Whitley DC, Beck B, Clark T. Kramer C, et al. Among authors: clark t. J Chem Inf Model. 2009 Jan;49(1):28-34. doi: 10.1021/ci800318q. J Chem Inf Model. 2009. PMID: 19105731

5

A surface-integral model for log P OW.

Kramer C, Beck B, Clark T. Kramer C, et al. Among authors: clark t. J Chem Inf Model. 2010 Mar 22;50(3):429-36. doi: 10.1021/ci900431f. J Chem Inf Model. 2010. PMID: 20108914

6

Conformation-dependent QSPR models: logPOW.

Muehlbacher M, El Kerdawy A, Kramer C, Hudson B, Clark T. Muehlbacher M, et al. Among authors: clark t. J Chem Inf Model. 2011 Sep 26;51(9):2408-16. doi: 10.1021/ci200276v. Epub 2011 Aug 29. J Chem Inf Model. 2011. PMID: 21842864

7

Polarization-induced σ-holes and hydrogen bonding.

Hennemann M, Murray JS, Politzer P, Riley KE, Clark T. Hennemann M, et al. Among authors: clark t. J Mol Model. 2012 Jun;18(6):2461-9. doi: 10.1007/s00894-011-1263-5. Epub 2011 Oct 21. J Mol Model. 2012. PMID: 22015592

8

Predicting the sites and energies of noncovalent intermolecular interactions using local properties.

El Kerdawy A, Wick CR, Hennemann M, Clark T. El Kerdawy A, et al. Among authors: clark t. J Chem Inf Model. 2012 Apr 23;52(4):1061-71. doi: 10.1021/ci300095x. Epub 2012 Apr 13. J Chem Inf Model. 2012. PMID: 22458324

9

Quantum mechanics-based properties for 3D-QSAR.

El Kerdawy A, Güssregen S, Matter H, Hennemann M, Clark T. El Kerdawy A, et al. Among authors: clark t. J Chem Inf Model. 2013 Jun 24;53(6):1486-502. doi: 10.1021/ci400181b. Epub 2013 Jun 5. J Chem Inf Model. 2013. PMID: 23692495

10

Economical and accurate protocol for calculating hydrogen-bond-acceptor strengths.

El Kerdawy A, Tautermann CS, Clark T, Fox T. El Kerdawy A, et al. Among authors: clark t. J Chem Inf Model. 2013 Dec 23;53(12):3262-72. doi: 10.1021/ci4006222. Epub 2013 Dec 11. J Chem Inf Model. 2013. PMID: 24289323

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