We present the relational database EDULISS (EDinburgh University Ligand Selection System), which stores structural, physicochemical and pharmacophoric properties of small molecule...
Kun-Yi Hsin, Hugh P. Morgan, Steven R. Shave, Andr...
Over the last decade, a number of methods for geometric matching based on a branch-and-bound approach have been proposed. Such algorithms work by recursively subdividing transforma...
This article proposes a novel similarity measure between
vector sequences. Recently, a model-based approach was
introduced to address this issue. It consists in modeling
each se...
Algorithms that use point-cloud models make heavy use of the neighborhoods of the points. These neighborhoods are used to compute the surface normals for each point, mollificatio...
Background: The protein folding problem remains one of the most challenging open problems in computational biology. Simplified models in terms of lattice structure and energy func...