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"Coupling enhanced sampling of the apo-receptor with template-based ligand ..."

Andrea Basciu et al. (2020)

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DOI: 10.1007/S10822-019-00244-6

access: closed

type: Journal Article

metadata version: 2021-10-14

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Andrea Basciu, Panagiotis I. Koukos, Giuliano Malloci, Alexandre M. J. J. Bonvin, Attilio Vittorio Vargiu:
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. 34(2): 149-162 (2020)

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