Assessment of automatic ligand building in ARP/wARP

The efficiency of the ligand‐building module of ARP/wARP version 6.1 has been assessed through extensive tests on a large variety of protein–ligand complexes from the PDB, as available from the Uppsala Electron Density Server. Ligand building in ARP/wARP involves two main steps: automatic identifica...

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Veröffentlicht in:	Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2007-01, Vol.63 (1), p.108-117
Hauptverfasser:	Evrard, Guillaume X., Langer, Gerrit G., Perrakis, Anastassis, Lamzin, Victor S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Animals ARP/wARP ATOMIC DISPLACEMENTS ATOMS Automation BENCHMARKS Binding Sites CHARGES Computational Biology - methods CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY Databases, Protein DENSITY EFFICIENCY ELECTRON DENSITY ELECTRONS Humans ligand binding LIGANDS Models, Molecular Molecular Conformation Protein Binding Protein Conformation PROTEINS Proteins - chemistry RECOMMENDATIONS Research Papers RESOLUTION Software VALIDATION X-Ray Diffraction
Online-Zugang:	Volltext
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