Integration of core hopping, quantum-mechanics, molecular mechanics coupled binding-energy estimations and dynamic simulations for fragment-based novel therapeutic scaffolds against Helicobacter pylori strains. - Chiranjeevi Pasala; Sudheer Kumar Katari; Ravina Madhulitha Nalamolu; R. Bitla Aparna; Umamaheswari Amineni (Comput. Biol. Chem., 2019)