Structural properties and interaction energies affecting drug design. An approach combining molecular simulations, statistics, interaction energies and neural networks. - Dimitris Ioannidis; Georgios E. Papadopoulos; Georgios C. Anastassopoulos; Alexandros Kortsaris; Konstantinos P. Anagnostopoulos (Comput. Biol. Chem., 2015)