Ligand placement based on prior structures: the guided ligand-replacement method

By Herbert Klei, Nigel W. Moriarty, Nathaniel Echols, T. C. Terwilliger, Eric T. Baldwin, Matt E. Pokross, Shana L. Posy, Paul D. Adams. 2013

13 citations recorded by the source corpus.

A new module, Guided Ligand Replacement (GLR), has been developed in Phenix to increase the ease and success rate of ligand placement when prior protein-ligand complexes are available.

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. Randy J. Read
3. Pavel V. Afonine
4. T. C. Terwilliger
5. A. McCoy
6. Nigel W. Moriarty
7. M. Sammito
8. R. Oeffner

In Materials Chemistry

1. Paul D. Adams
2. Pavel V. Afonine
3. Randy J. Read
4. T. C. Terwilliger
5. Nigel W. Moriarty
6. T. Croll
7. A. McCoy
8. Jane S. Richardson

In Molecular Biology

1. Paul D. Adams
2. Pavel V. Afonine
3. Randy J. Read
4. T. C. Terwilliger
5. Nigel W. Moriarty
6. T. Croll
7. A. McCoy
8. Jane S. Richardson

Citations in the corpus

• Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix (2019, background): “(ii) Guided ligand replacement (phenix.guided_ligand_ replacement) uses prior knowledge about ligand binding in a protein to assist the fitting of a similar ligand into the same or a similar protein (Klei et al., 2014).”