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 cross-platform revision control system. When
complete, it is expected that the BioCoRE meta-application will
drastically reduce the effort and expense presently associated with
structural biology distance collaborations.