Mazanetz MP - Search Results

1

Assessment of Hydration Thermodynamics at Protein Interfaces with Grid Cell Theory.

Gerogiokas G, Southey MW, Mazanetz MP, Heifetz A, Bodkin M, Law RJ, Henchman RH, Michel J. Gerogiokas G, et al. Among authors: mazanetz mp. J Phys Chem B. 2016 Oct 13;120(40):10442-10452. doi: 10.1021/acs.jpcb.6b07993. Epub 2016 Sep 29. J Phys Chem B. 2016. PMID: 27645529

2

Evaluation of water displacement energetics in protein binding sites with grid cell theory.

Gerogiokas G, Southey MW, Mazanetz MP, Heifetz A, Bodkin M, Law RJ, Michel J. Gerogiokas G, et al. Among authors: mazanetz mp. Phys Chem Chem Phys. 2015 Apr 7;17(13):8416-26. doi: 10.1039/c4cp05572a. Epub 2015 Jan 20. Phys Chem Chem Phys. 2015. PMID: 25600031 Free article.

3

Correction: Evaluation of water displacement energetics in protein binding sites with grid cell theory.

Gerogiokas G, Southey MW, Mazanetz MP, Hefeitz A, Bodkin M, Law RJ, Michel J. Gerogiokas G, et al. Among authors: mazanetz mp. Phys Chem Chem Phys. 2015 Jun 28;17(24):16213. doi: 10.1039/c5cp90084k. Epub 2015 May 29. Phys Chem Chem Phys. 2015. PMID: 26023833 No abstract available.

4

Evaluation of Host-Guest Binding Thermodynamics of Model Cavities with Grid Cell Theory.

Michel J, Henchman RH, Gerogiokas G, Southey MW, Mazanetz MP, Law RJ. Michel J, et al. Among authors: mazanetz mp. J Chem Theory Comput. 2014 Sep 9;10(9):4055-68. doi: 10.1021/ct500368p. J Chem Theory Comput. 2014. PMID: 26588549

5

Using electrophysiology and in silico three-dimensional modeling to reduce human Ether-à-go-go related gene K(+) channel inhibition in a histamine H3 receptor antagonist program.

Davenport AJ, Möller C, Heifetz A, Mazanetz MP, Law RJ, Ebneth A, Gemkow MJ. Davenport AJ, et al. Among authors: mazanetz mp. Assay Drug Dev Technol. 2010 Dec;8(6):781-9. doi: 10.1089/adt.2010.0322. Epub 2010 Dec 6. Assay Drug Dev Technol. 2010. PMID: 21133680

6

Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method.

Mazanetz MP, Ichihara O, Law RJ, Whittaker M. Mazanetz MP, et al. J Cheminform. 2011 Jan 10;3(1):2. doi: 10.1186/1758-2946-3-2. J Cheminform. 2011. PMID: 21219630 Free PMC article.

7

Ligand- and Structure-Based Drug Design and Optimization using KNIME.

Mazanetz MP, Goode CHF, Chudyk EI. Mazanetz MP, et al. Curr Med Chem. 2020;27(38):6458-6479. doi: 10.2174/0929867326666190409141016. Curr Med Chem. 2020. PMID: 30963962 Review.

8

Investigation of the flexibility of protein kinases implicated in the pathology of Alzheimer's disease.

Mazanetz MP, Laughton CA, Fischer PM. Mazanetz MP, et al. Molecules. 2014 Jun 30;19(7):9134-59. doi: 10.3390/molecules19079134. Molecules. 2014. PMID: 24983862 Free PMC article.

9

Drug discovery applications for KNIME: an open source data mining platform.

Mazanetz MP, Marmon RJ, Reisser CB, Morao I. Mazanetz MP, et al. Curr Top Med Chem. 2012;12(18):1965-79. doi: 10.2174/156802612804910331. Curr Top Med Chem. 2012. PMID: 23110532 Review.

10

GAMESS as a free quantum-mechanical platform for drug research.

Alexeev Y, Mazanetz MP, Ichihara O, Fedorov DG. Alexeev Y, et al. Among authors: mazanetz mp. Curr Top Med Chem. 2012;12(18):2013-33. doi: 10.2174/156802612804910269. Curr Top Med Chem. 2012. PMID: 23110536 Review.

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