The computer program MolPot: a useful tool in chemical reactivity analysis.
MolPot is a fast program for producing reactivity diagrams of molecular compounds, particularly for drugs. These diagrams are characteristic of the molecule envelope and the Molecular Electrostatic Potential (MEP) of the molecule surface (van der Waals surface or the portion of this surface that is solvent accessible). The input data includes only the atom names and their Cartesian coordinates.
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Centre de Recherche sur les Mécanismes de la Croissance Cristalline, Campus de Luminy, Marseille, France.
D003196:Computer Graphics; D015195:Drug Design; D004563:Electrochemistry; D008956:Models, Chemical