As companies, from big pharma to startups, increase their engagements with contract molecular modeling service providers, tools that facilitate rapid communication and feedback between external computational chemists and project teams becomes crucial. Rather than simply running all calculations for the collaborator and sharing results in a one-directional manner, at Schrodinger we focus equally on enabling our collaborators to execute frequent modeling calculations, ranging from basic 2D descriptor calculations to advanced 3D structural modeling, by deploying models through LiveDesign, a real-time enterprise ideation platform. Here we will discuss some case studies in using LiveDesign with medicinal chemists and other non-modelers, focusing on key ingredients to project success and interface adoption.

Putting modeling in the non-modelers' hands using LiveDesign

251st National Meeting (2016)

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