These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
4. Automated crystallographic ligand building using the medial axis transform of an electron-density isosurface. Aishima J; Russel DS; Guibas LJ; Adams PD; Brunger AT Acta Crystallogr D Biol Crystallogr; 2005 Oct; 61(Pt 10):1354-63. PubMed ID: 16204887 [TBL] [Abstract][Full Text] [Related]
5. Estimation of the protein-ligand interaction energy for model building and validation. Beshnova DA; Pereira J; Lamzin VS Acta Crystallogr D Struct Biol; 2017 Mar; 73(Pt 3):195-202. PubMed ID: 28291754 [TBL] [Abstract][Full Text] [Related]
6. Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling. Rosenfeld RJ; Goodsell DS; Musah RA; Morris GM; Goodin DB; Olson AJ J Comput Aided Mol Des; 2003 Aug; 17(8):525-36. PubMed ID: 14703123 [TBL] [Abstract][Full Text] [Related]
7. X-LIGAND: an application for the automated addition of flexible ligands into electron density. Oldfield TJ Acta Crystallogr D Biol Crystallogr; 2001 May; 57(Pt 5):696-705. PubMed ID: 11320310 [TBL] [Abstract][Full Text] [Related]
8. Automated structure solution, density modification and model building. Terwilliger TC Acta Crystallogr D Biol Crystallogr; 2002 Nov; 58(Pt 11):1937-40. PubMed ID: 12393925 [TBL] [Abstract][Full Text] [Related]
10. Validation of ligands in macromolecular structures determined by X-ray crystallography. Smart OS; Horský V; Gore S; Svobodová Vařeková R; Bendová V; Kleywegt GJ; Velankar S Acta Crystallogr D Struct Biol; 2018 Mar; 74(Pt 3):228-236. PubMed ID: 29533230 [TBL] [Abstract][Full Text] [Related]
11. X-ray crystallography as a tool for mechanism-of-action studies and drug discovery. Ennifar E Curr Pharm Biotechnol; 2013; 14(5):537-50. PubMed ID: 22429136 [TBL] [Abstract][Full Text] [Related]
12. Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7. Langer G; Cohen SX; Lamzin VS; Perrakis A Nat Protoc; 2008; 3(7):1171-9. PubMed ID: 18600222 [TBL] [Abstract][Full Text] [Related]
13. Automated main-chain model building by template matching and iterative fragment extension. Terwilliger TC Acta Crystallogr D Biol Crystallogr; 2003 Jan; 59(Pt 1):38-44. PubMed ID: 12499537 [TBL] [Abstract][Full Text] [Related]
14. You are lost without a map: Navigating the sea of protein structures. Lamb AL; Kappock TJ; Silvaggi NR Biochim Biophys Acta; 2015 Apr; 1854(4):258-68. PubMed ID: 25554228 [TBL] [Abstract][Full Text] [Related]
15. Current state of automated crystallographic data analysis. Lamzin VS; Perrakis A Nat Struct Biol; 2000 Nov; 7 Suppl():978-81. PubMed ID: 11104005 [TBL] [Abstract][Full Text] [Related]
16. Protein structure determination by x-ray crystallography. Ilari A; Savino C Methods Mol Biol; 2008; 452():63-87. PubMed ID: 18563369 [TBL] [Abstract][Full Text] [Related]
18. Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures. Pozharski E; Weichenberger CX; Rupp B Acta Crystallogr D Biol Crystallogr; 2013 Feb; 69(Pt 2):150-67. PubMed ID: 23385452 [TBL] [Abstract][Full Text] [Related]
19. Application and limitations of X-ray crystallographic data in structure-based ligand and drug design. Davis AM; Teague SJ; Kleywegt GJ Angew Chem Int Ed Engl; 2003 Jun; 42(24):2718-36. PubMed ID: 12820253 [TBL] [Abstract][Full Text] [Related]