PROCEDE POUR PREVOIR, IDENTIFIER ET DECRIRE DES MOLECULES SUSCEPTIBLES DE PRESENTER UN COMPORTEMENT RECHERCHE, NOTAMMENT DANS LE DOMAINE DE LA PHARMACIE ET MOLECULES OBTENUES PAR CE PROCEDE

摘要

The invention concerns a computer-assisted method for providing, identifying and describing molecules having a required activity, in particular in pharmacology, comprising a modelling step, a step for constituting a combinatorial bank and a step for selecting potentially interesting molecules, including a step of dynamic filtering of the candidate molecules representative of the conformation-varying stresses which the molecules must observe to have said activity.