: The prediction of the binding free energy between a ligand and a protein is an important component in the virtual screening and lead optimization of ligands for drug discovery. T...
Decisions taken at the earliest steps of the design process may have a significantimpact on the characteristics of the final implementation. This paper illustrates how power con...
Background: With the advent of increasing sequence and structural data, a number of methods have been proposed to locate putative protein binding sites from protein surfaces. Ther...