Found 32 results
Filters: Author is Yu, Wenbo [Clear All Filters]
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.
Six-site polarizable model of water based on the classical Drude oscillator. J Chem Phys. 2013 ;138(3):034508..
Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II. PLoS Pathog. 2013 ;9(11):e1003732.
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..
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..
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..
Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade. J Med Chem. 2011 ;54(21):7567-78.