Molecular docking software makes computational predictions of the interaction of molecules. This can be useful, for example, in evaluating the binding of candidate drug molecules ...
Christopher D. Rosin, R. Scott Halliday, William E...
Inspired originally by the Learnable Evolution Model(LEM) [5], we investigate LEM(ID3), a hybrid of evolutionary search with ID3 decision tree learning. LEM(ID3) involves interleav...
Energy efficiency and positional accuracy are often contradictive goals. We propose to decrease power consumption without sacrificing significant accuracy by developing an energy-...
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: Detection of common evolutionary origin (homology) is a primary means of inferring protein structure and function. At present, comparison of protein families represent...