IBBR Publications

Found 32 results
Filters: Author is Yu, Wenbo  [Clear All Filters]
2013
Cao X, Yap JL, M Newell-Rogers K, Peddaboina C, Jiang W, Papaconstantinou HT, Jupitor D, Rai A, Jung K-Y, Tubin RP, et al. 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. Mol Cancer. 2013 ;12(1):42.
Yu W, Lopes PEM, Roux B, Mackerell AD. Six-site polarizable model of water based on the classical Drude oscillator. J Chem Phys. 2013 ;138(3):034508.
Varney KM, Bonvin AMJJ, Pazgier M, Malin J, Yu W, Ateh E, Oashi T, Lu W, Huang J, de Buin MDiepeveen-, et al. Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II. PLoS Pathog. 2013 ;9(11):e1003732.
2012
Yu W, Wu Z, Chen H, Liu X, Mackerell AD, Lin Z. Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structures. J Phys Chem B. 2012 ;116(7):2269-83.
Yu W, He X, Vanommeslaeghe K, Mackerell AD. Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations. J Comput Chem. 2012 ;33(31):2451-68.
2011
E Raman P, Yu W, Guvench O, Mackerell AD. Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations. J Chem Inf Model. 2011 ;51(4):877-96.
Xu Z, Chen Y-W, Battu A, Wilder PT, Weber DJ, Yu W, Mackerell AD, Chen L-M, Chai KX, Johnson MD, et al. Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade. J Med Chem. 2011 ;54(21):7567-78.