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Combinatorial smal lmolecule growth algorithm was used to design inhibitors for human carbonic anhydrase II. Two enantiomeric candidate molecules were predicted to bind with high potency (with R isomer binding stronger than S), but in two distinct conformations.

This paper is a theoretical study of dynamic self assembly in a system of millimeter-sized magnetized disks floating at a liquid-air interface and spinning under the influence of a rotating magnetic field. Equations of motions are derived that account for the hydrodynamic and magnetic forces acting in the system. Numerical integration of these equations predicts formation of ordered structures of spinning disks; the simulated structures reproduce the patterns observed experimentally.