Recent experiments have shown that the congener Abeta(1-40)[D23-K28], in which the side chains of charged residues Asp23 and Lys28 are linked by a lactam bridge, forms amyloid fibrils that are structurally similar to the wild type (WT) Abeta peptide, but at a rate that is nearly 1000 times faster. We used all atom molecular dynamics simulations in explicit water, and two force fields, of the WT...

Occurring between hydrogen-bonded networks of polar residues and water molecules, proton transfer reactions are essential in energy conversion, transduction, storage biological systems. Here, we determine the contribution to acceleration ATP hydrolysis kinesins. A novel two-water cluster, or a Zundel cation, was observed be salt bridge kinesin motor protein active site. Solvent kinetic isotope ...

Enveloped viruses enter host cells by a process that involves fusion of the viral envelope with a membrane of the host cell. The process of membrane fusion which is typical for various cellular processes has been best studied in viral infections, especially in influenza virus. Hemagglutinin (HA), a major envelope glycoprotein is responsible for fusing viral and endosomal membranes during influe...