Journal of Computational Chemistry
Journal of Computational Chemistry
5 years ago

Cover Image, Volume 38, Issue 24

Cover Image, Volume 38, Issue 24
GaudiMM (for Genetic Algorithms with Unrestricted Descriptors for Intuitive Molecular Modeling) is a modular platform for 3D sketching of molecular systems. It combines a Multi-Objective Genetic Algorithm (MOGA) with diverse molecular descriptors to overcome the difficulty of generating candidate models for systems with scarce structural data. On page 2118, Jean-Didier Maréchal and colleagues explain that modelling a system in GaudiMM means choosing between the available descriptors to obtain a depiction of the system, and a set of objectives that should be fulfilled along the simulation. (DOI: 10.1002/jcc.24847)

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/jcc.24901

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