Macromolecular CrystallographyCharles W. Carter, Robert M. Sweet Gulf Professional Publishing, 1997 - 681 pages Annotation Accurate molecular structures is vital for rational drug design and for structure based functional studies directed toward the development of effective therapeutic agents and drugs. Crystallography can reliably predict structure, both in terms of folding and atomic details of bonding. * Phases * Map interpretation and refinement * Analysis and software. |
Contents
How Bijvoet Made the Difference The D M Blow Growing Power of Anomalous Scattering | 3 |
SOLVE AND RESOLVE Automated Structure Solution and Density Modification | 22 |
Automatic Solution of HeavyAtom Substructures | 37 |
Use of Noble Gases Xenon and Krypton as Heavy Atoms in Protein Structure Determination | 83 |
Phasing on Rapidly Soaked Ions | 120 |
The BijvoetDifference Fourier Synthesis | 137 |
Isomorphous Difference Methods | 145 |
XRay Crystallographic Structure Determination of Large Asymmetric Macromolecular Assemblies | 163 |
Structural Information Content at High Resolution MAD versus Native | 321 |
Full Matrix Refinement as a Tool to Discover the Quality of a Refined Structure | 345 |
Validation of Protein Structures for Protein Data Bank | 370 |
New Tools and Data for Improving Structures Using AllAtom Contacts | 385 |
Promise of Advances in Simulation Methods for Protein Crystallography Implicit Solvent Models TimeAveraging Refinement and Quantum Mechani... | 412 |
Modeller Generation and Refinement of HomologyBased Protein Structure Models | 461 |
GRASP2 Visualization Surface Properties and Electrostatics of Macromolecular Structures and Sequences | 492 |
Simplicial Neighborhood Analysis of Protein Packing SNAPP A Computational Geometry Approach to Studying Proteins | 509 |
Multidimensional Histograms for Density Modification | 188 |
Docking of Atomic Models into Reconstructions from Electron Microscopy | 204 |
ARPwARP and Automatic Interpretation of Protein Electron Density Maps | 229 |
TEXTAL System Artificial Intelligence Techniques for Automated Protein Model Building | 244 |
Applications for Macromolecular Map Interpretation XAUTOFIT XPOWERFIT XBUILD XLIGAND and XSOLVATE | 271 |
Macromolecular TLS Refinement in REFMAC at Moderate Resolutions | 300 |
Tools and Databases to Analyze Protein Flexibility Approaches to Mapping Implied Features onto Sequences | 544 |
Looking Behind the Beamstop XRay Solution Scattering Studies of Structure and Conformational Changes of Biological Macromolecules | 584 |
Identifying Importance of Amino Acids for Protein Folding from Crystal Structures | 616 |
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Common terms and phrases
Acta Crystallogr algorithm alignment all-atom amino acid amplitudes analysis angles anomalous scattering asymmetric unit atoms automated backbone Bijvoet binding Biol bond BPTI calculated Chem computed conformations contacts coordinates correlation crystal structure crystallographic data set database density modification derivatives diffraction distance distribution domains Edited eigenvalues electron density electron density map energy Enzyme errors example experimental fitting folding Fourier function heavy atom heavy-atom histogram histogram matching hydrophobic interactions isomorphous krypton ligand linker macromolecular model building molecular motions noble gas Nucleic Acids pattern peak peptide phase positions problem procedure protein structure regions residues resolution RMSD rotamers score sequence side chains similar simulation solution set SOLVE solvent statistical Struct structure determination structure factors substructure techniques template TEXTAL tion TLS group TLS refinement tool trace TvLDH unit cell values vector VOLUME water molecules wavelength X-ray xenon xenon and krypton