title: Computational chemistry and drug discovery: a call to action.
authors.affiliation: Novartis Institutes for Biomedical Research, Global Discovery Chemistry/Oncology, Infectious Diseases, & Exploratory Chemistry, Emeryville, CA 94608, USA. johanna.jansen@novartis.com
authors.forename: Johanna M
authors.initials: JM
authors.lastname: Jansen
authors.forename: Rommie E
authors.initials: RE
authors.lastname: Amaro
authors.forename: Wendy
authors.initials: W
authors.lastname: Cornell
authors.forename: Y Jane
authors.initials: YJ
authors.lastname: Tseng
authors.forename: W Patrick
authors.initials: WP
authors.lastname: Walters
mesh_terms: D019295:Computational Biology; D055808:Drug Discovery; D006801:Humans; D008956:Models, Chemical; D058069:Neglected Diseases / Q000517:prevention & control; D015203:Reproducibility of Results; D012984:Software