Browsing ICR Divisions by author "Brown, Nathan"
Now showing items 1-3 of 3
-
Applications of Systematic Molecular Scaffold Enumeration to Enrich Structure-Activity Relationship Information.
Mok, NY; Brown, N (2017-01)Establishing structure-activity relationships (SARs) in hit identification during early stage drug discovery is important in accelerating hit confirmation and expansion. We describe the development of EnCore, a systematic ... -
Mapping the 3D structures of small molecule binding sites
Meyers, J; Brown, N; Blagg, J (BMC, 2016-12-06) -
On the origins of three-dimensionality in drug-like molecules.
Meyers, J; Carter, M; Mok, NY; Brown, N (2016-09)Aim Many medicinal chemistry-relevant structures and core scaffolds tend toward geometric planarity, which hampers the optimization of physicochemical properties desirable in drug-like molecules. As challenging drug target ...