Roche Pharma Research & Early Development Informatics: examples of how large multi-touch computer interfaces enable scientists and scientific teams to browse and work with complex information during hypothesis generation and decision making.
With that much computational power at their disposal, why limit themselves to a 2D chemical structure alignment to superimpose backbones? Have them draw some kind of link between two structures and do an ad-hoc 3D alignment on the fly - *then* transfer functional groups where (and if) the scaffolds line up.
With that much computational power at their disposal, why limit themselves to a 2D chemical structure alignment to superimpose backbones? Have them draw some kind of link between two structures and do an ad-hoc 3D alignment on the fly - *then* transfer functional groups where (and if) the scaffolds line up.
boydsteere 3 months ago
... from the perspective of a software developer - exciting and breathtaking!
njdib 5 months ago