Clark T - Search Results

1

Descriptors, physical properties, and drug-likeness.

Brüstle M, Beck B, Schindler T, King W, Mitchell T, Clark T. Brüstle M, et al. Among authors: clark t. J Med Chem. 2002 Aug 1;45(16):3345-55. doi: 10.1021/jm011027b. J Med Chem. 2002. PMID: 12139446

2

The inhibition of alpha-chymotrypsin predicted using theoretically derived molecular properties.

Beck B, Glen RC, Clark T. Beck B, et al. Among authors: clark t. J Mol Graph. 1996 Jun;14(3):130-5, 142. doi: 10.1016/s0263-7855(96)00041-0. J Mol Graph. 1996. PMID: 8901640

3

QM/NN QSPR models with error estimation: vapor pressure and logP.

Beck B, Breindl A, Clark T. Beck B, et al. Among authors: clark t. J Chem Inf Comput Sci. 2000 Jul;40(4):1046-51. doi: 10.1021/ci990131n. J Chem Inf Comput Sci. 2000. PMID: 10955536

4

A quantum mechanical/neural net model for boiling points with error estimation.

Chalk AJ, Beck B, Clark T. Chalk AJ, et al. Among authors: clark t. J Chem Inf Comput Sci. 2001 Mar-Apr;41(2):457-62. doi: 10.1021/ci0004614. J Chem Inf Comput Sci. 2001. PMID: 11277737

5

A temperature-dependent quantum mechanical/neural net model for vapor pressure.

Chalk AJ, Beck B, Clark T. Chalk AJ, et al. Among authors: clark t. J Chem Inf Comput Sci. 2001 Jul-Aug;41(4):1053-9. doi: 10.1021/ci0103222. J Chem Inf Comput Sci. 2001. PMID: 11500124

6

A QSPR-approach to the estimation of the pK(HB) of six-membered nitrogen-heterocycles using quantum mechanically derived descriptors.

Hennemann M, Clark T. Hennemann M, et al. Among authors: clark t. J Mol Model. 2002 Apr;8(4):95-101. doi: 10.1007/s00894-002-0075-z. J Mol Model. 2002. PMID: 12111388

7

AM1* parameters for phosphorus, sulfur and chlorine.

Winget P, Horn AH, Selçuki C, Martin B, Clark T. Winget P, et al. Among authors: clark t. J Mol Model. 2003 Dec;9(6):408-14. doi: 10.1007/s00894-003-0156-7. Epub 2003 Sep 4. J Mol Model. 2003. PMID: 12955599

8

Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline.

Othersen OG, Lanig H, Clark T. Othersen OG, et al. Among authors: clark t. J Med Chem. 2003 Dec 18;46(26):5571-4. doi: 10.1021/jm034199c. J Med Chem. 2003. PMID: 14667210

9

New molecular descriptors based on local properties at the molecular surface and a boiling-point model derived from them.

Ehresmann B, de Groot MJ, Alex A, Clark T. Ehresmann B, et al. Among authors: clark t. J Chem Inf Comput Sci. 2004 Mar-Apr;44(2):658-68. doi: 10.1021/ci034215e. J Chem Inf Comput Sci. 2004. PMID: 15032548

10

Structural changes and binding characteristics of the tetracycline-repressor binding site on induction.

Lanig H, Othersen OG, Seidel U, Beierlein FR, Exner TE, Clark T. Lanig H, et al. Among authors: clark t. J Med Chem. 2006 Jun 15;49(12):3444-7. doi: 10.1021/jm060289g. J Med Chem. 2006. PMID: 16759085

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