Works matching IS 09074449 AND DT 2017 AND VI 73 AND IP 3

Results: 10

Tools for ligand validation in Coot.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 203, doi. 10.1107/S2059798317003382

By:

Emsley, Paul

Publication type:

Article

CheckMyMetal: a macromolecular metal-binding validation tool.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 223, doi. 10.1107/S2059798317001061

By:

Zheng, Heping;
Cooper, David R.;
Porebski, Przemyslaw J.;
Shabalin, Ivan G.;
Handing, Katarzyna B.;
Minor, Wladek

Publication type:

Article

The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 267, doi. 10.1107/S2059798316020234

By:

Krojer, Tobias;
Talon, Romain;
Pearce, Nicholas;
Collins, Patrick;
Douangamath, Alice;
Brandao-Neto, Jose;
Dias, Alexandre;
Marsden, Brian;
von Delft, Frank

Publication type:

Article

Gentle, fast and effective crystal soaking by acoustic dispensing.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 246, doi. 10.1107/S205979831700331X

By:

Collins, Patrick M.;
Ng, Jia Tsing;
Talon, Romain;
Nekrosiute, Karolina;
Krojer, Tobias;
Douangamath, Alice;
Brandao-Neto, Jose;
Wright, Nathan;
Pearce, Nicholas M.;
von Delft, Frank

Publication type:

Article

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 234, doi. 10.1107/S2059798316014352

By:

Cole, Jason C.;
Giangreco, Ilenia;
Groom, Colin R.

Publication type:

Article

Twilight reloaded: the peptide experience.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 211, doi. 10.1107/S205979831601620X

By:

Weichenberger, Christian X.;
Pozharski, Edwin;
Rupp, Bernhard

Publication type:

Article

Estimation of the protein-ligand interaction energy for model building and validation.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 195, doi. 10.1107/S2059798317003400

By:

Beshnova, Daria A.;
Pereira, Joana;
Lamzin, Victor S.

Publication type:

Article

Proper modelling of ligand binding requires an ensemble of bound and unbound states.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 256, doi. 10.1107/S2059798317003412

By:

Pearce, Nicholas M.;
Krojer, Tobias;
von Delft, Frank

Publication type:

Article

WONKA and OOMMPPAA: analysis of protein-ligand interaction data to direct structure-based drug design.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 279, doi. 10.1107/S2059798316009529

By:

Deane, Charlotte M.;
Wall, Ian D.;
Green, Darren V. S.;
Marsden, Brian D.;
Bradley, Anthony R.

Publication type:

Article

The use of small-molecule structures to complement protein-ligand crystal structures in drug discovery.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2017, v. 73, n. 3, p. 240, doi. 10.1107/S2059798317000675

By:

Groom, Colin R.;
Cole, Jason C.

Publication type:

Article