Salts of 12-hydroxystearate are important organogelators and grease thickeners, but a structural rationale for their rheological properties remains elusive. We use quantum mechanical calculations and ...

Leaf Shape and Arrangement Treehugger / Hilary Allison Studying leaf shape and the arrangement of leaves on a stem is the most common way of identifying a tree in the field during the growing season.

Given the amino-acid sequence or 3D structure of a protein, how much can we predict about its function using just a desktop computer? The recent explosive growth in the volume of sequence data and ...

Long MD simulations are carried out using a detailed all-atom force field to investigate the effect of pH or, equivalently, degree of ionization α – (= 0, 50, 100%) and degree of polymerization N (= ...