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• Drug Discovery
  * Advances in computing power and in structure determination by x-ray crystallography and NMR have made computer-aided drug design (CADD) and structure-based dr ...
  23 KB (3467 words) - 03:48, 1 September 2008
• Virtual screening
  ... a set of heterogeneous receptor–ligand complexes, as determined by X-ray crystallography.
  5 KB (724 words) - 06:29, 11 August 2008
• Chemical file format
  ... by the [http://www.iucr.org/iucr-top/cif/index.html International Union of Crystallography]</td>
  14 KB (2238 words) - 09:36, 17 September 2008
• Docking (molecular)
  ... tructure has been determined using a biophysical technique such as [[x-ray crystallography]], or less often, [[Protein NMR|NMR spectroscopy]]. This protein structure ... There are a large number of structures from [[X-ray crystallography]] for complexes between proteins and high affinity ligands, but comparativ ...
  12 KB (1708 words) - 05:48, 17 September 2008
• Protein structure
  ... res available in the [[Protein Data Bank]] have been determined by [[X-ray crystallography]]. This method allows one to measure the 3D density distribution of electr ...
  27 KB (4092 words) - 12:18, 4 December 2008
• QSAR
  ... lculations requiring three-dimensional structures, e.g. based on protein [[crystallography]] or molecule [[superposition]]. It uses computed potentials, e.g. the Len ...
  6 KB (859 words) - 09:16, 20 August 2008
• Genomics
  ... all proteins of a given organism, by experimental methods such as [[X-ray crystallography]], [[NMR spectroscopy]] or computational approaches such as [[Homology Mod ...
  5 KB (708 words) - 07:03, 18 August 2008
• Protein Data Bank
  ... rotein]]s and [[nucleic acid]]s. These data, typically obtained by [[X-ray crystallography]] or [[Protein NMR|NMR spectroscopy]] and submitted by [[biologist]]s and ...
  11 KB (1705 words) - 05:34, 19 August 2008
• Hydrogen bond
  ... een known for some time, and well characterized by [[X-ray crystallography|crystallography]]; however, an understanding of their relationship to the conventional hyd ...
  19 KB (2877 words) - 09:05, 20 August 2008
• Drug design
  ... onal information about biomolecules obtained from such techniques as x-ray crystallography and NMR spectroscopy. This approach to drug discovery is sometimes referr ...
  6 KB (827 words) - 06:06, 17 September 2008
• Molecul;ar Modelling
  * [http://www.ysbl.york.ac.uk/~emsley/coot/ Coot] for [[X-ray crystallography]] of biological molecules
  8 KB (1088 words) - 09:16, 1 September 2008
• Structural genomics
  ... [[proteins]] of a given organism, by experimental methods such as [[X-ray crystallography]], [[protein NMR|NMR spectroscopy]] or computational approaches such as [[ ...
  5 KB (642 words) - 05:05, 26 August 2008
• Molecular graphics
  ... eloped to overlay the molecular [[electron density]] determined from X-ray crystallography and the hypothetical molecular structure. ... evangelize MG. In the late 1970s, it was possible for departments (such as crystallography) to afford their own hosts (e.g., [[PDP-11]]) and to attach a display (suc ...
  26 KB (3817 words) - 04:05, 27 August 2008
• Secondary structure prediction
  ... mparing it to the results of the [[DSSP]] algorithm applied to the [[X-ray crystallography|crystal structure]] of the protein; for nucleic acids, it may be determine ...
  12 KB (1607 words) - 06:13, 27 August 2008
• Energy minimization
  ... ources. They may be obtained from an experimental technique, such as X-ray crystallography or NMR. They may also be obtained from theoretical techniques such as homo ...
  3 KB (449 words) - 09:57, 1 September 2008
• Metallothionein
  ... ionein has been solved both by Nuclear Magnetic Resonance (NMR) and x-ray crystallography. The x-ray crystal structure of rat liver Zn2Cd5-MT refined at 2.0 Å reso ...
  8 KB (1255 words) - 04:39, 3 September 2008
• Datasets in Bioinformatics
  ... % sequence identity.The structure of these proteins is determined by X-ray crystallography at 2.0 resolution or better. Each chain contains minimum one beta turn.
  16 KB (2424 words) - 11:41, 5 September 2008
• Biological Structure Databases
  ... RCSB PDB contains 3-D biological macromolecular structure data from X-ray crystallography, NMR, and Cryo-EM. It is operated by Rutgers, The State University of New ...
  6 KB (821 words) - 09:48, 13 September 2008
• LOOP Modeling
  ... so used in the data fitting stages of solving a protein structure by X-ray crystallography, because loops can correspond to regions of low electron density and are t ... ... " and adopt many conformations, while the loop conformations seen by X-ray crystallography may merely reflect crystal packing interactions, or the stabilizing influe ...
  3 KB (487 words) - 04:01, 17 September 2008
• Molecular modelling
  * [http://www.ysbl.york.ac.uk/~emsley/coot/ Coot] for [[X-ray crystallography]] of biological molecules
  7 KB (1017 words) - 06:29, 17 September 2008

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