Direct Methods for Solving Macromolecular Structures

The phase problem of x-ray crystallography: overview.- A simple introduction to direct methods.- An elementary introduction to direct methods.- A simple introduction to Patterson methods.- An introduction to probability theory.- Intensity statistics and normalization.- Invariants, seminvariants and phase relationships.- Sayre equation, tangent formula and SAYTAN.- Probabilistic phasing methods versus macromolecular crystallography.- to the use of non-crystallographic symmetry in phasing.- An introduction to maximum entropy in action.- Crystal structure refinement incorporating chemical information.- Location of heavy atoms by automated Patterson interpretation.- New applications of simulated annealing in crystallographic refinement.- Figures of merit for evaluating phases.- to density modification.- An integrated graphical user interface for crystallographic software.- Isomorphous replacement: a survey of recent developments.- A theoretical study on the measurability of Bijvoet differences in macromolecular crystals.- Multiwavelength anomalous diffraction in macromolecular crystallography.- The solvent contrast variation method.- Obtaining phases from electron microscopy for solving protein structures.- Solving a heavy-atom substructure by direct methods.- Direct methods in relation to isomorphous data.- Integration of direct methods with SIR techniques.- Direct methods of solving phase ambiguities in macromolecular structures.- Phase refinement.- On the use of partial structure information in ab initio direct methods.- Direct methods with electron microscope information.- Density modification and direct methods.- Molecular scene analysis and its role in protein structure determination.- Membrane proteins solved by electron microscopy and electron diffraction.- The phase problem: a problem in constrained global optimization.- Shake-and-Bake: applications and advances.- SHELX applications to macromolecules.- Ab initio determination of a low resolution molecular envelope by direct methods.- Model based very low resolution phasing.- Use of non-crystallographic symmetry for ab initio phasing of virus structures.- Direct methods, and the use of synchrotron radiation for macromolecular crystallography.- The likelihood based choice of priors in statistical approaches to the phase problem.- Developments in maximum entropy and likelihood.- Extending the resolving power of Shake-and-Bake.- Reinvestigation of the use of Patterson maps to extrapolate data to higher resolution.- Intensity oversampling from crystallographic sampling via discrete Hilbert transforms.- Applications of direct methods with single isomorphous replacement or one wavelength anomalous scattering data.- Direct methods and molecular replacement techniques: the translation problem.- Holographic methods in x-ray crystallography.- A comparison of two algorithms for electron density map improvement by introduction of atomicity: skeletonization, and map sorting followed by refinement.- Real-space refinement using RsRef.- Towards the enantiomorph specific probabilistic theory of the structure invariants.