CDOCKER and $$\lambda$$λ-dynamics for prospective prediction in D3R Grand Challenge 2
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DOI: 10.1007/s10822-017-0050-5
Abstract: The opportunity to prospectively predict ligand bound poses and free energies of binding to the Farnesoid X Receptor in the D3R Grand Challenge 2 provided a useful exercise to evaluate CHARMM based docking (CDOCKER) and… read more here.
Keywords: cdocker; structure; lambda dynamics; grand challenge ... See more keywords