Fecha de publicación: 11/09/2008 Fuente: WIPO "swarm" A method and computer program for determining biomolecular structures from experimental data that includes ambiguous experimental observables comprising the steps of: creating a swarm of molecular structure generators; having the ability to allow the communication between said generators via a global set of molecular restraints; determining said molecular structure in a cooperative manner by using self-optimization of a multi-agent system. In one embodiment, NOESY spectra are used to calculate inter-proton distances of the biomolecular structure and said distances are used as molecular restraints. Moreover, the method involves restrained molecular dynamics simulations, e.g. by simulated annealing.