Meng Y - Search Results

1

Activation pathway of Src kinase reveals intermediate states as targets for drug design.

Shukla D, Meng Y, Roux B, Pande VS. Shukla D, et al. Among authors: meng y. Nat Commun. 2014 Mar 3;5:3397. doi: 10.1038/ncomms4397. Nat Commun. 2014. PMID: 24584478 Free PMC article.

2

Explaining why Gleevec is a specific and potent inhibitor of Abl kinase.

Lin YL, Meng Y, Jiang W, Roux B. Lin YL, et al. Among authors: meng y. Proc Natl Acad Sci U S A. 2013 Jan 29;110(5):1664-9. doi: 10.1073/pnas.1214330110. Epub 2013 Jan 14. Proc Natl Acad Sci U S A. 2013. PMID: 23319661 Free PMC article.

3

Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions.

Wojtas-Niziurski W, Meng Y, Roux B, Bernèche S. Wojtas-Niziurski W, et al. Among authors: meng y. J Chem Theory Comput. 2013 Apr 9;9(4):1885-1895. doi: 10.1021/ct300978b. J Chem Theory Comput. 2013. PMID: 23814508 Free PMC article.

4

Locking the active conformation of c-Src kinase through the phosphorylation of the activation loop.

Meng Y, Roux B. Meng Y, et al. J Mol Biol. 2014 Jan 23;426(2):423-35. doi: 10.1016/j.jmb.2013.10.001. Epub 2013 Oct 6. J Mol Biol. 2014. PMID: 24103328 Free PMC article.

5

Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD.

Jiang W, Phillips JC, Huang L, Fajer M, Meng Y, Gumbart JC, Luo Y, Schulten K, Roux B. Jiang W, et al. Among authors: meng y. Comput Phys Commun. 2014 Mar;185(3):908-916. doi: 10.1016/j.cpc.2013.12.014. Comput Phys Commun. 2014. PMID: 24944348 Free PMC article.

6

Computational study of Gleevec and G6G reveals molecular determinants of kinase inhibitor selectivity.

Lin YL, Meng Y, Huang L, Roux B. Lin YL, et al. Among authors: meng y. J Am Chem Soc. 2014 Oct 22;136(42):14753-62. doi: 10.1021/ja504146x. Epub 2014 Oct 7. J Am Chem Soc. 2014. PMID: 25243930 Free PMC article.

7

Computational study of the "DFG-flip" conformational transition in c-Abl and c-Src tyrosine kinases.

Meng Y, Lin YL, Roux B. Meng Y, et al. J Phys Chem B. 2015 Jan 29;119(4):1443-56. doi: 10.1021/jp511792a. Epub 2015 Jan 15. J Phys Chem B. 2015. PMID: 25548962 Free PMC article.

8

Computational study of the W260A activating mutant of Src tyrosine kinase.

Meng Y, Roux B. Meng Y, et al. Protein Sci. 2016 Jan;25(1):219-30. doi: 10.1002/pro.2731. Epub 2015 Jul 18. Protein Sci. 2016. PMID: 26106037 Free PMC article.

9

Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression.

Meng Y, Roux B. Meng Y, et al. J Chem Theory Comput. 2015 Aug 11;11(8):3523-9. doi: 10.1021/ct501130r. Epub 2015 Jul 7. J Chem Theory Comput. 2015. PMID: 26574437 Free PMC article.

10

Transition path theory analysis of c-Src kinase activation.

Meng Y, Shukla D, Pande VS, Roux B. Meng Y, et al. Proc Natl Acad Sci U S A. 2016 Aug 16;113(33):9193-8. doi: 10.1073/pnas.1602790113. Epub 2016 Aug 1. Proc Natl Acad Sci U S A. 2016. PMID: 27482115 Free PMC article.

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