Yu W - Search Results

1

Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade.

Xu Z, Chen YW, Battu A, Wilder P, Weber D, Yu W, Mackerell AD, Chen LM, Chai KX, Johnson MD, Lin CY. Xu Z, et al. Among authors: yu w. J Med Chem. 2011 Nov 10;54(21):7567-78. doi: 10.1021/jm200920s. Epub 2011 Oct 12. J Med Chem. 2011. PMID: 21966950 Free PMC article.

2

Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations.

Raman EP, Yu W, Guvench O, Mackerell AD. Raman EP, et al. Among authors: yu w. J Chem Inf Model. 2011 Apr 25;51(4):877-96. doi: 10.1021/ci100462t. Epub 2011 Apr 1. J Chem Inf Model. 2011. PMID: 21456594 Free PMC article.

3

Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structures.

Yu W, Wu Z, Chen H, Liu X, MacKerell AD Jr, Lin Z. Yu W, et al. J Phys Chem B. 2012 Feb 23;116(7):2269-83. doi: 10.1021/jp207807a. Epub 2012 Feb 10. J Phys Chem B. 2012. PMID: 22260814 Free PMC article.

4

Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations.

Yu W, He X, Vanommeslaeghe K, MacKerell AD Jr. Yu W, et al. J Comput Chem. 2012 Dec 5;33(31):2451-68. doi: 10.1002/jcc.23067. Epub 2012 Jul 23. J Comput Chem. 2012. PMID: 22821581 Free PMC article.

5

Six-site polarizable model of water based on the classical Drude oscillator.

Yu W, Lopes PE, Roux B, MacKerell AD Jr. Yu W, et al. J Chem Phys. 2013 Jan 21;138(3):034508. doi: 10.1063/1.4774577. J Chem Phys. 2013. PMID: 23343286 Free PMC article.

6

The novel BH3 α-helix mimetic JY-1-106 induces apoptosis in a subset of cancer cells (lung cancer, colon cancer and mesothelioma) by disrupting Bcl-xL and Mcl-1 protein-protein interactions with Bak.

Cao X, Yap JL, Newell-Rogers MK, Peddaboina C, Jiang W, Papaconstantinou HT, Jupitor D, Rai A, Jung KY, Tubin RP, Yu W, Vanommeslaeghe K, Wilder PT, MacKerell AD Jr, Fletcher S, Smythe RW. Cao X, et al. Among authors: yu w. Mol Cancer. 2013 May 16;12(1):42. doi: 10.1186/1476-4598-12-42. Mol Cancer. 2013. PMID: 23680104 Free PMC article.

7

Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II.

Varney KM, Bonvin AM, Pazgier M, Malin J, Yu W, Ateh E, Oashi T, Lu W, Huang J, Diepeveen-de Buin M, Bryant J, Breukink E, Mackerell AD Jr, de Leeuw EP. Varney KM, et al. Among authors: yu w. PLoS Pathog. 2013;9(11):e1003732. doi: 10.1371/journal.ppat.1003732. Epub 2013 Nov 7. PLoS Pathog. 2013. PMID: 24244161 Free PMC article.

8

Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach.

Raman EP, Yu W, Lakkaraju SK, MacKerell AD Jr. Raman EP, et al. Among authors: yu w. J Chem Inf Model. 2013 Dec 23;53(12):3384-98. doi: 10.1021/ci4005628. Epub 2013 Nov 25. J Chem Inf Model. 2013. PMID: 24245913 Free PMC article.

9

Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling.

Yu W, Lakkaraju SK, Raman EP, MacKerell AD Jr. Yu W, et al. J Comput Aided Mol Des. 2014 May;28(5):491-507. doi: 10.1007/s10822-014-9728-0. Epub 2014 Mar 8. J Comput Aided Mol Des. 2014. PMID: 24610239 Free PMC article.

10

Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations.

Lakkaraju SK, Raman EP, Yu W, MacKerell AD Jr. Lakkaraju SK, et al. Among authors: yu w. J Chem Theory Comput. 2014 Jun 10;10(6):2281-2290. doi: 10.1021/ct500201y. Epub 2014 May 6. J Chem Theory Comput. 2014. PMID: 24932136 Free PMC article.

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 NCBI Filters

Text availability

Article attribute

Article type

Publication date

15,455 results

Search Page