Lemmen C - Search Results

1

Discovery of novel histamine H4 and serotonin transporter ligands using the topological feature tree descriptor.

Kiss R, Sándor M, Gere A, Schmidt E, Balogh GT, Kiss B, Molnár L, Lemmen C, Keseru GM. Kiss R, et al. Among authors: lemmen c. J Chem Inf Model. 2012 Jan 23;52(1):233-42. doi: 10.1021/ci2004972. Epub 2011 Dec 28. J Chem Inf Model. 2012. PMID: 22168379

2

Active learning with support vector machines in the drug discovery process.

Warmuth MK, Liao J, Rätsch G, Mathieson M, Putta S, Lemmen C. Warmuth MK, et al. Among authors: lemmen c. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):667-73. doi: 10.1021/ci025620t. J Chem Inf Comput Sci. 2003. PMID: 12653536

3

Using ensembles to classify compounds for drug discovery.

Lanctot JK, Putta S, Lemmen C, Greene J. Lanctot JK, et al. Among authors: lemmen c. J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):2163-9. doi: 10.1021/ci034129e. J Chem Inf Comput Sci. 2003. PMID: 14632468

4

A novel shape-feature based approach to virtual library screening.

Putta S, Lemmen C, Beroza P, Greene J. Putta S, et al. Among authors: lemmen c. J Chem Inf Comput Sci. 2002 Sep-Oct;42(5):1230-40. doi: 10.1021/ci0255026. J Chem Inf Comput Sci. 2002. PMID: 12377013

5

A novel subshape molecular descriptor.

Putta S, Eksterowicz J, Lemmen C, Stanton R. Putta S, et al. Among authors: lemmen c. J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1623-35. doi: 10.1021/ci0256384. J Chem Inf Comput Sci. 2003. PMID: 14502497

6

Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design.

Eksterowicz JE, Evensen E, Lemmen C, Brady GP, Lanctot JK, Bradley EK, Saiah E, Robinson LA, Grootenhuis PD, Blaney JM. Eksterowicz JE, et al. Among authors: lemmen c. J Mol Graph Model. 2002 Jun;20(6):469-77. doi: 10.1016/s1093-3263(01)00148-6. J Mol Graph Model. 2002. PMID: 12071281

7

The FlexX database docking environment--rational extraction of receptor based pharmacophores.

Claussen H, Gastreich M, Apelt V, Greene J, Hindle SA, Lemmen C. Claussen H, et al. Among authors: lemmen c. Curr Drug Discov Technol. 2004 Jan;1(1):49-60. doi: 10.2174/1570163043484815. Curr Drug Discov Technol. 2004. PMID: 16472219

8

Second-generation de novo design: a view from a medicinal chemist perspective.

Zaliani A, Boda K, Seidel T, Herwig A, Schwab CH, Gasteiger J, Claussen H, Lemmen C, Degen J, Pärn J, Rarey M. Zaliani A, et al. Among authors: lemmen c. J Comput Aided Mol Des. 2009 Aug;23(8):593-602. doi: 10.1007/s10822-009-9291-2. Epub 2009 Jun 27. J Comput Aided Mol Des. 2009. PMID: 19562260

9

Computational methods for the structural alignment of molecules.

Lemmen C, Lengauer T. Lemmen C, et al. J Comput Aided Mol Des. 2000 Mar;14(3):215-32. doi: 10.1023/a:1008194019144. J Comput Aided Mol Des. 2000. PMID: 10756477 Review.

10

Novel technologies for virtual screening.

Lengauer T, Lemmen C, Rarey M, Zimmermann M. Lengauer T, et al. Among authors: lemmen c. Drug Discov Today. 2004 Jan 1;9(1):27-34. doi: 10.1016/S1359-6446(04)02939-3. Drug Discov Today. 2004. PMID: 14761803

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