MOLPROBITY: structure validation and all-atom contact analysis for nucleic acids and their complexes | Zendy

Ian Davis | Zendy; Louann W. Murray | Zendy; Jane S. Richardson | Zendy; David Richardson | Zendy

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MOLPROBITY: structure validation and all-atom contact analysis for nucleic acids and their complexes

Author(s) -

Ian Davis,

Louann W. Murray,

Jane S. Richardson,

David Richardson

Publication year - 2004

Publication title -

nucleic acids research

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 9.008

H-Index - 537

eISSN - 1362-4954

pISSN - 0305-1048

DOI - 10.1093/nar/gkh398

Subject(s) - molecular graphics , nucleic acid , van der waals force , steric effects , graphics , hydrogen bond , biology , crystallography , protein data bank (rcsb pdb) , bioinformatics , computational biology , molecule , computer graphics , computer science , stereochemistry , biochemistry , computer graphics (images) , physics , chemistry , quantum mechanics

MolProbity is a general-purpose web service offering quality validation for three-dimensional (3D) structures of proteins, nucleic acids and complexes. It provides detailed all-atom contact analysis of any steric problems within the molecules and can calculate and display the H-bond and van der Waals contacts in the interfaces between components. An integral step in the process is the addition and full optimization of all hydrogen atoms, both polar and nonpolar. The results are reported in multiple forms: as overall numeric scores, as lists, as downloadable PDB and graphics files, and most notably as informative, manipulable 3D kinemage graphics shown on-line in the KiNG viewer. This service is available free to all users at http://kinemage.biochem.duke.edu.

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