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Democratizing Computer-Assisted Drug Design: How Are We Doing?

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In 2007, John Van Drie wrote a perspective on what the next two decades of progress in computer-assisted drug design (CADD) might entail. Ash Jogalekar recently looked back at this list, and rated the progress towards each of Van Drie’s goals on a scale from one to ten. There’s a lot in Jogalekar’s piece that’s interesting and worth discussing, but I was particularly intrigued by the sixth item on the list (emphasis added): Outlook 6: today’s sophisticated CADD tools only in the hands of experts will be on the desktops of medicinal chemists tomorrow. The technology will disperse Twenty-five years ago, modelers worked with million-dollar room-sized computers with 3D display systems half the size of a refrigerator. Today, the computer which sits on my lap is far more powerful, both in computation speed and in 3D display capabilities. Twenty-five years ago, the software running on those computers was arcane, with incomprehensible user interfaces; much of the function of modelers in those

Democratizing Computer-Assisted Drug Design: How Are We Doing? Corin Wagen About Projects --> Past Work --> Papers Blog (Archive) Democratizing Computer-Assisted Drug Design: How Are We Doing? March 5, 2025 In 2007, John Van Drie wrote a perspective on what the next two decades of progress in computer-assisted drug design (CADD) might entail. Ash Jogalekar recently looked back at this list, and rated the progress towards each of Van Drie’s goals on a scale from one to ten. There’s a lot in Jogalekar’s piece that’s interesting and worth discussing, but I was particularly intrigued by the sixth

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