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DOI docs Build Status codecov

AllosMod is a protocol to set up and run simulations based on a modeled energy landscape that you create. Carefully designed energy landscapes allow efficient molecular dynamics sampling at constant temperatures, thereby providing ergodic sampling of conformational space (such as for modeling of allostery). The protocol generates a shell script suitable for running on a Linux compute cluster.

Web interfaces to the protocol are also available:

See the documentation for more detail.