Michel J - 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: michel j. 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

Prediction of the water content in protein binding sites.

Michel J, Tirado-Rives J, Jorgensen WL. Michel J, et al. J Phys Chem B. 2009 Oct 8;113(40):13337-46. doi: 10.1021/jp9047456. J Phys Chem B. 2009. PMID: 19754086 Free PMC article.

3

A simple QM/MM approach for capturing polarization effects in protein-ligand binding free energy calculations.

Beierlein FR, Michel J, Essex JW. Beierlein FR, et al. Among authors: michel j. J Phys Chem B. 2011 May 5;115(17):4911-26. doi: 10.1021/jp109054j. Epub 2011 Apr 8. J Phys Chem B. 2011. PMID: 21476567

4

Current and emerging opportunities for molecular simulations in structure-based drug design.

Michel J. Michel J. Phys Chem Chem Phys. 2014 Mar 14;16(10):4465-77. doi: 10.1039/c3cp54164a. Phys Chem Chem Phys. 2014. PMID: 24469595 Free PMC article.

5

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: michel j. 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.

6

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: michel j. 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.

7

A Collective Variable for the Rapid Exploration of Protein Druggability.

Cuchillo R, Pinto-Gil K, Michel J. Cuchillo R, et al. Among authors: michel j. J Chem Theory Comput. 2015 Mar 10;11(3):1292-307. doi: 10.1021/ct501072t. J Chem Theory Comput. 2015. PMID: 26579775

8

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: michel j. 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

9

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

10

Elucidation of Nonadditive Effects in Protein-Ligand Binding Energies: Thrombin as a Case Study.

Calabrò G, Woods CJ, Powlesland F, Mey AS, Mulholland AJ, Michel J. Calabrò G, et al. Among authors: michel j. J Phys Chem B. 2016 Jun 23;120(24):5340-50. doi: 10.1021/acs.jpcb.6b03296. Epub 2016 Jun 14. J Phys Chem B. 2016. PMID: 27248478

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 Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

2,625 results

Search Page

Filters