BioCoRE: A Collaboratory for Structural Biology

Abstract

Modern computational structural biology requires scientists to employ a wide range of tools and techniques to solve complex problems while keeping accurate records of research activities. Additional complications are introduced by the need to effectively engage in interdisciplinary collaborations with geographically dispersed colleagues. The software BioCoRE, a collaborative research environment for molecular modeling and simulations, addresses these challenges. Initial design work has led to a web-based architecture focused on four primary interface paradigms: a workbench allows diverse computational tools to be applied to the problem at hand in a consistent manner, a notebook automates recording of research activities, electronic conferences held with collaborators can be saved and replayed, and multi-author documents can be prepared in a crossplatform revision control system. When complete, it is expected that the BioCoRE meta-application will drastically reduce the effort and expen...

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