Leah L. Frye
Columbia University
2 papers in the Anchorcite directory, published between 2004 and 2006, cited 12,394 times in total.
ORCID profileResearch topics
- Receptor Mechanisms and Signaling · 2 papers
- Computational Drug Discovery Methods · 2 papers
- Protein Structure and Dynamics · 1 paper
- Monoclonal and Polyclonal Antibodies Research · 1 paper
Frequent co-authors
- Richard A. Friesner · 2 papers
- Robert B. Murphy · 2 papers
- Thomas A. Halgren · 2 papers
- Matthew P. Repasky · 1 paper
- Jeremy R. Greenwood · 1 paper
- Paul C. Sanschagrin · 1 paper
- Daniel T. Mainz · 1 paper
- Hege S. Beard · 1 paper
Papers
- Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand ComplexesJournal of Medicinal Chemistry · 2006 · 7,040 citations
A novel scoring function to estimate protein-ligand binding affinities has been developed and implemented as the Glide 4.0 XP scoring function and docking protocol. In addition to unique water desolvation energy terms, protein-ligand structural motifs leading to enhanced binding affinity…
- Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database ScreeningJournal of Medicinal Chemistry · 2004 · 5,354 citations
Glide's ability to identify active compounds in a database screen is characterized by applying Glide to a diverse set of nine protein receptors. In many cases, two, or even three, protein sites are employed to probe the sensitivity of the…
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