Atomic property fields: generalized 3D pharmacophoric potential for automated ligand superposition, pharmacophore elucidation and 3D QSAR.
A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).
Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase states.
Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking.
Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes.