The Curious Wavefunction

Musings on science, history, philosophy and literature

Showing posts with label VS. Show all posts
Showing posts with label VS. Show all posts

Datasets in Virtual Screening: starting off on the right foot

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As Niels Bohr said, prediction is very difficult, especially about the future. In case of computational modeling, the real grist of value is...
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A relatively rare example of docking-based virtual screening

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Many studies published in the last few years have demonstrated that in general, ligand-based methods are better for virtual screening compar...

"I run from reality"

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Yes, that's why I prefer to do computational chemistry and virtual screening too. Presenting UCSF's Brian Shoichet
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