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Volume 3   Issue 2   Year 2008
Sobolev Ξ. V., Lunin V. Y.

Unrestrained reciprocal space refinement of macromolecular structures as a tool to indicate alternative conformations

Mathematical Biology & Bioinformatics. 2008;3(2):50-59.

doi: 10.17537/2008.3.50.


  1. Engh R, Huber R. Accurate bond and angle parameters for X-ray protein-structure refinement. Acta Crystallogr D Biol Crystallogr.1991;47:392-400. doi: 10.1107/S0108767391001071
  2. Jaskolski M, Gilski M, Dauter Z, Wlodawer A. Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them? Acta Cryst. 2007;D63:611-620.
  3. Sheldrick GM. Phase Annealing in SHELX-90: Direct Methods for Larger Structures. Acta Cryst. 1990;A46:467-473 doi: 10.1107/S0108767390000277
  4. Morris RJ, Bricogne G. Sheldrick's 1.2 A rule and beyond. Acta Cryst. 2003;D59:615-617
  5. Bernstein FC, Koetzle TF, Williams GJB, Meyer EF Jr, Brice MD, Rogers JR, Kennard O, Shimanouchi T, Tasumi M. The Protein Data Bank: a computer based archival file for macromolecular structures. J Mol Biol. 1977;112:535-547. doi: 10.1016/S0022-2836(77)80200-3
  6. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE. The Protein Data Bank. Nucleic Acids Res. 2000;28:235-242. doi: 10.1093/nar/28.1.235
  7. Antson AA, Smith DJ, Roper DI, Lewis S, Caves LS, Verma CS, Buckley SL, Lillford PJ, Hubbard RE. Understanding the mechanism of ice binding by type III Antifreeze Proteins. J. Mol. Biol. 2001;305.
  8. Kang BS, Devedjiev Y, Derewenda U, Derewenda ZS. The Pdz2 domain of syntenin at ultra-high resolution: bridging the gap between small molecule and macromolecular crystal chemistry. J. Mol. Biol. 2004;338.
  9. Afonine PV, Grosse-Kunstleve RW, Adams PS. The Phenix refinement framework. CCP4 Newsletters. 2005;42.
Table of Contents Original Article
Math. Biol. Bioinf.
doi: 10.17537/2008.3.50
published in Russian

Abstract (rus.)
Abstract (eng.)
Full text (rus., pdf)


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