Next Generation Visualization and Analysis Software for Multiscale Modeling

About This Grant

ABSTRACT The goal of this project is to enable scientific discovery and advances in biomedical research through the development of cutting-edge software tools that provide integrated visualizations and analyses of molecular structures and related biological information. Our tools can be applied to diverse types of biomolecular data, including atomic-resolution coordinates, 3D cryo-EM and cryo-ET density maps, and protein and nucleic acid sequences, annotations, and networks. During the next five years we will continue our emphasis on the unmet software needs for basic and applied biomedical research using highly trained and talented staff, with excellent interdisciplinary knowledge and specialized, state-of-the-art expertise in software engineering, computer graphics, and data analysis. Our primary focus will be on the interactive visualization and analysis of structures of molecules, molecular assemblies, and sequence-structure relationships. These areas are critical for addressing important and highly relevant biomedical problems such as identifying the molecular bases of disease, identifying targets for drug development, designing drugs, and engineering proteins with new functions. The tools we develop and disseminate will enable scientists to understand, analyze, and illustrate to others the important principles of molecular structure, function, and interactions. Our tools such as ChimeraX are widely recognized as works of the highest quality, and are available for free on our website as executable applications and in source-code form through our GitHub repository. We fully support and maintain these tools, and provide detailed documentation and tutorials. Our technological developments are disseminated widely via scientific publications, lectures, software distribution, and web-accessible videos.