Journal Article 4 molecular similarity 2 C/S software 1 Canterakis-Zernike moments 1 Proteins 1 Research Support, Non-U.S. Gov't 1 Research Support, U.S. Gov't, Non-P.H.S. 1 mehr ... computer-aided drug design 1 electron density expansion 1 global descriptors 1 local modes 1 local rotation-invariant features 1 molecular alignment 1 molecular fingerprints 1 molecular pattern recognition 1 multithread and multimode 3D molecular similarity calculation 1 mutation path 1 normal modes 1 quantum molecular similarity 1 vibrational spectroscopy 1 virtual screening 1 visualization 1 weniger ...