Law RJ - Search Results

1

Prediction of Small Molecule Hydration Thermodynamics with Grid Cell Theory.

Gerogiokas G, Calabro G, Henchman RH, Southey MW, Law RJ, Michel J. Gerogiokas G, et al. Among authors: law rj. J Chem Theory Comput. 2014 Jan 14;10(1):35-48. doi: 10.1021/ct400783h. Epub 2013 Dec 13. J Chem Theory Comput. 2014. PMID: 26579889

2

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: law rj. 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

3

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: law rj. J Chem Theory Comput. 2014 Sep 9;10(9):4055-68. doi: 10.1021/ct500368p. J Chem Theory Comput. 2014. PMID: 26588549

4

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: law rj. 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.

5

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: law rj. 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.

6

A gating mechanism proposed from a simulation of a human alpha7 nicotinic acetylcholine receptor.

Law RJ, Henchman RH, McCammon JA. Law RJ, et al. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6813-8. doi: 10.1073/pnas.0407739102. Epub 2005 Apr 27. Proc Natl Acad Sci U S A. 2005. PMID: 15857954 Free PMC article.

7

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. Among authors: law rj. J Cheminform. 2011 Jan 10;3(1):2. doi: 10.1186/1758-2946-3-2. J Cheminform. 2011. PMID: 21219630 Free PMC article.

8

Study of human Orexin-1 and -2 G-protein-coupled receptors with novel and published antagonists by modeling, molecular dynamics simulations, and site-directed mutagenesis.

Heifetz A, Morris GB, Biggin PC, Barker O, Fryatt T, Bentley J, Hallett D, Manikowski D, Pal S, Reifegerste R, Slack M, Law R. Heifetz A, et al. Biochemistry. 2012 Apr 17;51(15):3178-97. doi: 10.1021/bi300136h. Epub 2012 Apr 5. Biochemistry. 2012. PMID: 22448975

9

Fighting obesity with a sugar-based library: discovery of novel MCH-1R antagonists by a new computational-VAST approach for exploration of GPCR binding sites.

Heifetz A, Barker O, Verquin G, Wimmer N, Meutermans W, Pal S, Law RJ, Whittaker M. Heifetz A, et al. Among authors: law rj. J Chem Inf Model. 2013 May 24;53(5):1084-99. doi: 10.1021/ci4000882. Epub 2013 Apr 26. J Chem Inf Model. 2013. PMID: 23590178

10

Toward an understanding of agonist binding to human Orexin-1 and Orexin-2 receptors with G-protein-coupled receptor modeling and site-directed mutagenesis.

Heifetz A, Barker O, Morris GB, Law RJ, Slack M, Biggin PC. Heifetz A, et al. Among authors: law rj. Biochemistry. 2013 Nov 19;52(46):8246-60. doi: 10.1021/bi401119m. Epub 2013 Nov 8. Biochemistry. 2013. PMID: 24144388 Free PMC article.

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