NEXTMOL Modeling Documentation

NEXTMOL Modeling is a cloud-based software platform to perform molecular modeling simulations of chemical molecules. It is specialized in surface and interface phenomena, such as adsorption affinity, formation of self-assembled surface films and micelles, collective effects of adsorbed molecules (dispersion, friction reduction, anti-agglomeration, detergency, etc.), competition for the surface, synergistic / antagonistic effects, among others.

The platform provides an intuitive graphic user interface that allows to sketch molecules, build the systems, create your own workflows, execute the job and analyze the results. It also provides a catalog of ready-to-use molecules and workflows. In this way, computations can be conducted by users who are non-experts in computational chemistry.

The simulation code currently available is GROMACS. Additional codes will be available in the future.

Please note: For best experience using the platform, we recommend the Chrome and Microsoft Edge browsers. Mozilla Firefox or Internet Explorer browsers are not supported by the platform.