Abstract:methylammonium, acetate and water [4]. With the removal of the previous ambiguity brought by using water as both the hydrogen-bond donor and acceptor fragment [2], improved screening results are seen using targets in the DUD database in the extended SILCS-Pharm method. Validations of the protocol using eight different protein targets show equal or better screening results when compared with results using common docking methods such as DOCK or Au-toDock, indicating the potential utility of the approach in ratio… Show more
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