ROMEO: A Plug-and-play Software Platform of Robotics-inspired Algorithms for Modeling Biomolecular Structures and Motions

摘要

Motivation: Due to the central role of protein structure in molecular recognition, great computational efforts are devoted to modeling protein structures and motions that mediate structural rearrangements. The size, dimensionality, and non-linearity of the protein structure space present outstanding challenges. Such challenges also arise in robot motion planning, and robotics-inspired treatments of protein structure and motion are increasingly showing high exploration capability. Encouraged by such findings, we debut here ROMEO, which stands for Robotics prOtein Motion ExplOration framework. ROMEO is an open-source, object-oriented platform that allows researchers access to and reproducibility of published robotics-inspired algorithms for modeling protein structures and motions, as well as facilitates novel algorithmic design via its plug-and-play architecture. Availability and implementation: ROMEO is written in C++ and is available in GitLab (https://github.com/). This software is freely available under the Creative Commons license (Attribution and Non-Commercial). Contact: amarda@gmu.edu