Lill MA - Search Results

1

Integrating structure-based and ligand-based approaches for computational drug design.

Wilson GL, Lill MA. Wilson GL, et al. Among authors: lill ma. Future Med Chem. 2011 Apr;3(6):735-50. doi: 10.4155/fmc.11.18. Future Med Chem. 2011. PMID: 21554079 Review.

2

Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

Lill MA, Winiger F, Vedani A, Ernst B. Lill MA, et al. J Med Chem. 2005 Sep 8;48(18):5666-74. doi: 10.1021/jm050403f. J Med Chem. 2005. PMID: 16134935

3

Multi-dimensional QSAR in drug discovery.

Lill MA. Lill MA. Drug Discov Today. 2007 Dec;12(23-24):1013-7. doi: 10.1016/j.drudis.2007.08.004. Epub 2007 Sep 19. Drug Discov Today. 2007. PMID: 18061879 Review.

4

Computer-aided drug design platform using PyMOL.

Lill MA, Danielson ML. Lill MA, et al. J Comput Aided Mol Des. 2011 Jan;25(1):13-9. doi: 10.1007/s10822-010-9395-8. Epub 2010 Oct 30. J Comput Aided Mol Des. 2011. PMID: 21053052

5

Significant enhancement of docking sensitivity using implicit ligand sampling.

Xu M, Lill MA. Xu M, et al. Among authors: lill ma. J Chem Inf Model. 2011 Mar 28;51(3):693-706. doi: 10.1021/ci100457t. Epub 2011 Mar 4. J Chem Inf Model. 2011. PMID: 21375306 Free PMC article.

6

Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures.

Danielson ML, Desai PV, Mohutsky MA, Wrighton SA, Lill MA. Danielson ML, et al. Among authors: lill ma. Eur J Med Chem. 2011 Sep;46(9):3953-63. doi: 10.1016/j.ejmech.2011.05.067. Epub 2011 Jun 23. Eur J Med Chem. 2011. PMID: 21703735 Free PMC article.

7

Probing the steric space at the floor of the D1 dopamine receptor orthosteric binding domain: 7α-, 7β-, 8α-, and 8β-methyl substituted dihydrexidine analogues.

Cueva JP, Gallardo-Godoy A, Juncosa JI, Vidi PA, Lill MA, Watts VJ, Nichols DE. Cueva JP, et al. Among authors: lill ma. J Med Chem. 2011 Aug 11;54(15):5508-21. doi: 10.1021/jm200334c. Epub 2011 Jul 14. J Med Chem. 2011. PMID: 21714510 Free PMC article.

8

Protein pharmacophore selection using hydration-site analysis.

Hu B, Lill MA. Hu B, et al. Among authors: lill ma. J Chem Inf Model. 2012 Apr 23;52(4):1046-60. doi: 10.1021/ci200620h. Epub 2012 Mar 26. J Chem Inf Model. 2012. PMID: 22397751 Free PMC article.

9

Virtual screening in drug design.

Lill M. Lill M. Methods Mol Biol. 2013;993:1-12. doi: 10.1007/978-1-62703-342-8_1. Methods Mol Biol. 2013. PMID: 23568460 Review.

10

Exploring the potential of protein-based pharmacophore models in ligand pose prediction and ranking.

Hu B, Lill MA. Hu B, et al. Among authors: lill ma. J Chem Inf Model. 2013 May 24;53(5):1179-90. doi: 10.1021/ci400143r. Epub 2013 May 13. J Chem Inf Model. 2013. PMID: 23621564 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

83 results

Search Page