Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4
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DOI: 10.1007/s10822-019-00257-1
Abstract: We describe a new template-based method for docking flexible ligands such as macrocycles to proteins. It combines Monte-Carlo energy minimization on the manifold, a fast manifold search method, with BRIKARD for complex flexible ligand searching,… read more here.
Keywords: protocols template; sampling refinement; template based; refinement protocols ... See more keywords