The global optimization of Morse clusters by potential energy transformations

The Morse potential is a simple model pair potential that has a single parameter $\rho$ which determines the width of the potential well and allows a wide variety of materials to be modelled. Morse clusters provide a particularly tough test system for global optimization algorithms, and one that is highly relevant to methods that are … Read more

A randomized global optimization method for protein-protein docking

In this paper we report results on the problem of docking two large proteins by means of a two-phase monotonic basin hopping method. Given an appropriate force field which is used to measure the interaction energy between two biomolecules which are considered as rigid bodies, we used a randomized global optimization methods based upon the … Read more

The least-intensity feasible solution for aperture-based inverse planning in radiation therapy.

Aperture-based inverse planning (ABIP) for intensity modulated radiation therapy (IMRT) treatment planning starts with external radiation fields (beams) that fully conform to the target(s) and then superimposes sub-fields called segments to achieve complex shaping of 3D dose distributions. The segments’ intensities are determined by solving a feasibility problem. The least-intensity feasible (LIF) solution, proposed and … Read more