The force required to rupture the streptavidin-biotin complex was calculated here by computer simulations. The computed force agrees well with that obtained by recent single molecule atomic force microscope experiments. These simulations suggest a detailed multiple-pathway rupture mechanism involving five major unbinding steps. Binding forces and specificity are attributed to a hydrogen bond ne...

The molecular electrostatic potential inside the potassium channel protein from Streptomyces liVidans has been investigated using linear scaling semiempirical quantum chemical method, for a variety of geometries, with and without solvating water molecules. The results are compared with those given by a number of popular molecular mechanics force-fields. The difference between the quantum and mo...

In the light of computational chemistry, based on morpholinium cation-based Ionic Liquid, their different types of physical, chemical, and biological properties is highlighted. The physical properties are evaluated through the Density Functional Theory (DFT) of Molecular Mechanics and also examine the chemical and biological properties. The difference between Highest Occupied Molecular Orbital ...

Submit Manuscript | http://medcraveonline.com Abbreviations: DOPA: 3,4-Dihydroxy Phenylalanine; MAPs: Mussel Adhesive Proteins; QM: Quantum Mechanics; MM: Molecular Mechanics; PEG: Polyethylene Glycol; LAMBA: Light Activated Mussel-based Bio Adhesive; DFT: Density Functional Theory; EPR: Electron Paramagnetic Resonance; DCTA: DoubleCrosslinked Tissue Adhesives; UFF: Universal Force Field; ONIOM...