Eric H. Knoll
National Renewable Energy Laboratory(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Computational Drug Discovery Methods, Machine Learning in Materials Science, Free Radicals and Antioxidants, Protein Structure and Dynamics
Most-Cited Works
- → Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy(2004)9,716 cited
- → PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results(2006)1,194 cited
- → A localized orbital analysis of the thermochemical errors in hybrid density functional theory: Achieving chemical accuracy via a simple empirical correction scheme(2006)68 cited
- → Localized Orbital Corrections for the Calculation of Ionization Potentials and Electron Affinities in Density Functional Theory(2006)32 cited
- → Triphenylamine-based star-shaped absorbers with tunable energy levels for organic photovoltaics(2010)