Simon Grimshaw added documents to this group
Drug-like bioactive structures and conformational coverage with the LigPrep/ConfGen suite: comparison to programs MOE and catalyst.
And 22 more
Development and use of hydrophobic surface area (HSA) descriptors for computer-assisted quantitative structure-activity and structure-property relationship studies.
And 530 more
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.
Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering.
And 245 more
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