D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies

Overview of attention for article published in Journal of Computer-Aided Molecular Design, December 2017

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RT @pjballester: Blind challenges (https://t.co/Mnqv5bJzdz) for structure-based binding predictions are finally proving what it has been lo…

Blind challenges (https://t.co/Mnqv5bJzdz) for structure-based binding predictions are finally proving what it has been long known: more detailed methods (FEP) are not more predictive than less detailed methods (scoring functions). Even when only 100 li…

RT @drugdesigndata: The overview paper for Grand Challenge 2 is out! https://t.co/qRE2JW6M0L It's part of the special JCAMD issue on this…

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