Molecular design is an adventure: Those who embark on it, return with new experiences and might venture further next time. This talk will highlight examples of medicinal chemistry programs at Roche that have profited from a tight integration between chemists and molecular design experts. Along the way, tools were buit and insights gained into molecular interactions and conformations. These were deepened through systematic analysis of experimental structural data and through first-principles calculations.

Award Address  (ACS Award for Computers in Chemical and Pharmaceutical Research sponsored by the ACS Division of Computers in Chemistry). Adventures in molecular design: A trip report

247th National Meeting (2014)

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