William E. Hart
Sandia National Laboratories
1 paper in the Anchorcite directory, published in 1998, cited 10,968 times in total.
ORCID profileResearch topics
- Computational Drug Discovery Methods · 1 paper
- Protein Structure and Dynamics · 1 paper
- Click Chemistry and Applications · 1 paper
Frequent co-authors
- Garrett M. Morris · 1 paper
- David S. Goodsell · 1 paper
- Robert S. Halliday · 1 paper
- Ruth Huey · 1 paper
- Richard K. Belew · 1 paper
- Arthur J. Olson · 1 paper
Papers
- Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy functionJournal of Computational Chemistry · 1998 · 10,968 citations
A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets has been developed and tested, in combination with a new scoring function that estimates the free energy change upon binding. Interestingly, this…
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