title: Enabling drug discovery project decisions with integrated computational chemistry and informatics.
abstract: Computational chemistry/informatics scientists and software engineers in Genentech Small Molecule Drug Discovery collaborate with experimental scientists in a therapeutic project-centric environment. Our mission is to enable and improve pre-clinical drug discovery design and decisions. Our goal is to deliver timely data, analysis, and modeling to our therapeutic project teams using best-in-class software tools. We describe our strategy, the organization of our group, and our approaches to reach this goal. We conclude with a summary of the interdisciplinary skills required for computational scientists and recommendations for their training.
authors: Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA.
authors: Vickie
authors: V
authors: Tsui
authors: Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA.
authors: Daniel F
authors: DF
authors: Ortwine
authors: Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA. blaney.jeff@gene.com.
authors: Jeffrey M
authors: 0000-0001-9505-552X
authors: JM
authors: Blaney
mesh_terms: D002626:Chemistry, Pharmaceutical; D019295:Computational Biology; D017076:Computer-Aided Design; D015195:Drug Design; D055808:Drug Discovery; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D012984:Software
keywords: Cheminformatics; Computational chemistry; Discovery; Drug; Drug design; Genentech; Software