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A Step Closer to Reliable Modeling of Protein-Peptide Binding

posted Mar 17, 2018, 9:26 PM by Emilio Gallicchio   [ updated Mar 17, 2018, 9:28 PM ]
Congratulations to Denise Kilburg for her paper in Frontiers Molecular Bioscience: Molecular Recognition:

This work moves the field a bit closer to making alchemical calculations of the absolute binding free energies of protein-peptide complexes a reality. It is not at all easy. The first ingredient is to know when things go wrong. And they do ...