X-LIGAND: an application for the automated addition of flexible ligands into electron density.

By Thomas J. Oldfield. 2001

40 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Paul D. Adams
2. Nigel W. Moriarty
3. Anthony Nicholls
4. Nathaniel Echols
5. T. C. Terwilliger
6. Shana L. Posy
7. Matt E. Pokross
8. Eric T. Baldwin

In Materials Chemistry

1. Paul D. Adams
2. Nigel W. Moriarty
3. T. C. Terwilliger
4. Nathaniel Echols
5. Pavel V. Afonine
6. Anthony Nicholls
7. Shana L. Posy
8. Robert P. Sheridan

In Molecular Biology

1. T. C. Terwilliger
2. Paul D. Adams
3. Nigel W. Moriarty
4. Nathaniel Echols
5. Anthony Nicholls
6. Shana L. Posy
7. Robert P. Sheridan
8. Matt E. Pokross

Citations in the corpus

• Molecular Shape and Medicinal Chemistry: A Perspective (2010, methodology): “The Quanta application X-Ligand 54 first centers the ligand on an unoccupied patch of electron density and then searches the ligand conformational space to find the best fit to density.”
• Ligand placement based on prior structures: the guided ligand-replacement method (2013, methodology): “As a step towards automation, from within QUANTA, X-LIGAND (Oldfield, 2001b) could be used to automatically fit ligands with some success, albeit slowly for flexible ligands and still through an interactive session.”