@article{393937b0fb6d45bc8b11a28a801498b5,
title = "The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study.",
keywords = "MOLECULAR-DYNAMICS SIMULATIONS, PSEUDO-ACTIVE-SITE, BASIS-SETS, SIGNALING PATHWAY, ORBITAL METHODS, HYBRID QUANTUM, WAVE-FUNCTIONS, WATER, ENERGY, LIGAND",
author = "Manuel Hitzenberger and Schuster, {Daniela Brigitte} and Hofer, {Thomas S}",
year = "2017",
doi = "10.3389/fchem.2017.00076",
language = "English",
volume = "5",
pages = "76",
journal = "FRONTIERS IN CHEMISTRY",
issn = "2296-2646",
}