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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Enabling drug discovery project decisions with integrated computational chemistry and informatics

Vickie Tsui1, Daniel F Ortwine1, Jeffrey M Blaney2

  • 1Discovery Chemistry, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA.

Journal of Computer-Aided Molecular Design
|November 1, 2016
PubMed

Keywords:
CheminformaticsComputational chemistryDiscoveryDrugDrug designGenentechSoftware

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