Browsing by Publisher "AMER CHEMICAL SOC"
Now showing items 1-3 of 3
COMP 297-Experimental and molecular docking simulation studies of Histone deacetylases (HDACs) enzyme inhibitors Authors :
Publisher and Date : (AMER CHEMICAL SOC, 2007)
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calixarene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics Authors :
Publisher and Date : (AMER CHEMICAL SOC, 2013)Molecular dynamics simulations and quantum-mechanical calculations were performed to characterize a supra-molecular tris(imidazolyl) calixarene Zn2+ aqua complex as a biomimetic model for the catalyzed hydration of ...
Docking of novel reversible monoamine oxidase-B inhibitors: Efficient prediction of ligand binding sites and estimation of inhibitors thermodynamic properties Authors :
Publisher and Date : (AMER CHEMICAL SOC, 2006)