Moustakas DT - Search Results

1

Novel rapidly diversifiable antimicrobial RNA polymerase switch region inhibitors with confirmed mode of action in Haemophilus influenzae.

Buurman ET, Foulk MA, Gao N, Laganas VA, McKinney DC, Moustakas DT, Rose JA, Shapiro AB, Fleming PR. Buurman ET, et al. Among authors: moustakas dt. J Bacteriol. 2012 Oct;194(20):5504-12. doi: 10.1128/JB.01103-12. Epub 2012 Jul 27. J Bacteriol. 2012. PMID: 22843845 Free PMC article.

2

Discovery of a potent respiratory syncytial virus RNA polymerase inhibitor.

Xiong H, Foulk M, Aschenbrenner L, Fan J, Tiong-Yip CL, Johnson KD, Moustakas D, Fleming PR, Brown DG, Zhang M, Ferguson D, Wu D, Yu Q. Xiong H, et al. Bioorg Med Chem Lett. 2013 Dec 15;23(24):6789-93. doi: 10.1016/j.bmcl.2013.10.018. Epub 2013 Oct 16. Bioorg Med Chem Lett. 2013. PMID: 24211022

3

Evaluating Free Energies of Binding and Conservation of Crystallographic Waters Using SZMAP.

Bayden AS, Moustakas DT, Joseph-McCarthy D, Lamb ML. Bayden AS, et al. Among authors: moustakas dt. J Chem Inf Model. 2015 Aug 24;55(8):1552-65. doi: 10.1021/ci500746d. Epub 2015 Aug 3. J Chem Inf Model. 2015. PMID: 26176600

4

Fragment-based lead discovery and design.

Joseph-McCarthy D, Campbell AJ, Kern G, Moustakas D. Joseph-McCarthy D, et al. J Chem Inf Model. 2014 Mar 24;54(3):693-704. doi: 10.1021/ci400731w. Epub 2014 Feb 19. J Chem Inf Model. 2014. PMID: 24490951 Review.

5

Virtual fragment screening: exploration of MM-PBSA re-scoring.

Kawatkar S, Moustakas D, Miller M, Joseph-McCarthy D. Kawatkar S, et al. J Comput Aided Mol Des. 2012 Aug;26(8):921-34. doi: 10.1007/s10822-012-9590-x. Epub 2012 Aug 7. J Comput Aided Mol Des. 2012. PMID: 22869295

6

Preclinical pharmacokinetic/pharmacodynamic models to predict synergistic effects of co-administered anti-cancer agents.

Goteti K, Garner CE, Utley L, Dai J, Ashwell S, Moustakas DT, Gönen M, Schwartz GK, Kern SE, Zabludoff S, Brassil PJ. Goteti K, et al. Among authors: moustakas dt. Cancer Chemother Pharmacol. 2010 Jul;66(2):245-54. doi: 10.1007/s00280-009-1153-z. Epub 2009 Oct 16. Cancer Chemother Pharmacol. 2010. PMID: 19841922

7

The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization.

Pennington LD, Moustakas DT. Pennington LD, et al. Among authors: moustakas dt. J Med Chem. 2017 May 11;60(9):3552-3579. doi: 10.1021/acs.jmedchem.6b01807. Epub 2017 Feb 8. J Med Chem. 2017. PMID: 28177632 Review.

8

Pharmacophore-based molecular docking to account for ligand flexibility.

Joseph-McCarthy D, Thomas BE 4th, Belmarsh M, Moustakas D, Alvarez JC. Joseph-McCarthy D, et al. Proteins. 2003 May 1;51(2):172-88. doi: 10.1002/prot.10266. Proteins. 2003. PMID: 12660987

9

Development and validation of a modular, extensible docking program: DOCK 5.

Moustakas DT, Lang PT, Pegg S, Pettersen E, Kuntz ID, Brooijmans N, Rizzo RC. Moustakas DT, et al. J Comput Aided Mol Des. 2006 Oct-Nov;20(10-11):601-19. doi: 10.1007/s10822-006-9060-4. Epub 2006 Dec 6. J Comput Aided Mol Des. 2006. PMID: 17149653

10

DOCK 6: Impact of new features and current docking performance.

Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. Allen WJ, et al. Among authors: moustakas dt. J Comput Chem. 2015 Jun 5;36(15):1132-56. doi: 10.1002/jcc.23905. J Comput Chem. 2015. PMID: 25914306 Free PMC article.

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