Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
In this paper we address the problem of defining a measure of diversity for a population of individuals whose genome can be subjected to major reorganizations during the evolution...
Similarity search is widely used in multimedia retrieval systems to find the most similar ones for a given object. Some similarity measures, however, are not metric, leading to e...
Functionality-based recognition systems recognize objects at the category level by reasoning about how well the objects support the expected function. Such systems naturally assoc...