David Elliot Shaw

Research topics

• Computational Drug Discovery Methods · 1 paper
• Protein Structure and Dynamics · 1 paper
• Click Chemistry and Applications · 1 paper

Frequent co-authors

• Richard A. Friesner · 1 paper
• Jay L. Banks · 1 paper
• Robert B. Murphy · 1 paper
• Thomas A. Halgren · 1 paper
• Jasna J. Klicic · 1 paper
• Daniel T. Mainz · 1 paper
• Matthew P. Repasky · 1 paper
• Eric H. Knoll · 1 paper

Papers

1. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking AccuracyJournal of Medicinal Chemistry · 2004 · 10,203 citations

   Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked ligand. In this search, an initial rough positioning…