Drug Discovery has inarguably become dependent upon a plethora of computational tools and data, requiring increasing collaboration across traditionally siloed areas of computational modeling and medicinal chemistry. These areas have become more and more critical to reducing attrition and improving predictions earlier in the R&D process, approaching a nearly quantitative level. With this comes substantial challenges of tracking project progression, accessing data across various tool sets, and sharing ideas across teams. Too often files are lost, ideas are not traceable from inception to synthesis, or scientists just can't form the ad-hoc queries they want across various datasets.<br/><br/>Herein we present LiveDesign, a highly-collaborative and intuitive web-based platform for fostering creativity by bringing computational modeling alongside experimental and predictive data. LiveDesign also recognizes the necessity of heavy extensibility, with easy plug and play gadgets through well-established web technologies to reach into other tools as needed.<br/>This talk will cover how LiveDesign is helping streamline early phase drug discovery by demonstrating the democratization of modeling and data with several workflow use cases.

LiveDesign: Integrative molecular modeling and cheminformatics for collaborative drug design

255th National Meeting (2018)

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