2017
DOI: 10.1107/s2059798316020143 View full text |Buy / Rent full text
|
|

Abstract: Crystal structures of protein-ligand complexes are often used to infer biology and inform structure-based drug discovery. Hence, it is important to build accurate, reliable models of ligands that give confidence in the interpretation of the respective protein-ligand complex. This paper discusses key stages in the ligand-fitting process, including ligand binding-site identification, ligand description and conformer generation, ligand fitting, refinement and subsequent validation. The CCP4 suite contains a numbe… Show more

Help me understand this page

Search citation statements

Order By: Relevance
0
0
0
0
0
0
9
0

Publication Types

Select...

Relationship

0
0

Authors

Journals