Concepedia

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function

Nadine Schneider, Sally Hindle, Gudrun Lange, Robert J. Klein, Jürgen Albrecht, Hans Briem, Kristin Beyer, Holger Claußen, Marcus Gastreich, Christian Lemmen,

Journal of Computer-Aided Molecular Design · 2011 · 149 citations · 34 references

DOI

Concepts

References

34

<i>PHENIX</i>: a comprehensive Python-based system for macromolecular structure solution

Paul D. Adams, Pavel V. Afonine, G. Bunkóczi et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 24.5K citations · Full text

, , +16

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

, , +16

A new force field for molecular mechanical simulation of nucleic acids and proteins

Scott J. Weiner, Peter A. Kollman, David A. Case et al. · Journal of the American Chemical Society · 1984 · 4.6K citations

, , +17

A Fast Flexible Docking Method using an Incremental Construction Algorithm

Matthias Rarey, Bernd Krämer, Thomas Lengauer et al. · Journal of Molecular Biology · 1996 · 2.8K citations

, , +9

Satisfying Hydrogen Bonding Potential in Proteins

Ian K. McDonald, Janet M. Thornton · Journal of Molecular Biology · 1994 · 2.1K citations

, , +12