References
Main Reference:
Willy Wriggers.
Conventions and Workflows for Using
Situs
.
Acta Cryst. D
, 2012, Vol. 68, pp. 344-351.
Thematically Specialized References:
Flexible Fitting to Medium Resolution Maps:
Julio Kovacs, Vitold Galkin, and Willy Wriggers.
Accurate Flexible Refinement of Atomic Models Against Medium-Resolution Cryo-EM Maps Using Damped Dynamics
.
BMC Struct Biol
., 2018, Vol 18 Nr. 12.
Validation:
Willy Wriggers and Jing He.
Numerical Geometry of Map and Model
Assessment
.
J. Struct. Biol.
, 2015, Vol. 192, pp. 255-261.
First decade of Situs history:
Willy Wriggers.
Using
Situs
for the Integration of Multi-Resolution Structures
.
Biophysical Reviews
, 2010, Vol. 2, pp. 21-27.
Vector quantization method:
Willy Wriggers, Ronald A. Milligan, Klaus Schulten, and J. Andrew McCammon.
Self-Organizing Neural Networks Bridge the Biomolecular Resolution Gap
.
J. Molecular Biology
, 1998, Vol. 284, pp. 1247-1254.
Correlation-based docking:
Pablo Chacón and Willy Wriggers.
Multi-Resolution Contour-Based Fitting of Macromolecular Structures
.
J. Mol. Biol.
, 2002, Vol 317, pp. 375-384.
Application to SAXS:
Willy Wriggers and Pablo Chacón.
Using
Situs
for the Registration of Protein Structures with Low-Resolution Bead Models from X-ray Solution Scattering
.
J. Appl. Cryst.
, 2001, Vol. 34, pp. 773-776.
Map editing, discrepancy mapping, review of docking algorithms:
Willy Wriggers and Pablo Chacón.
Modeling Tricks and Fitting Techniques for Multi-Resolution Structures
.
Structure
, 2001, Vol. 9, pp. 779-788.
Point cloud matching:
Stefan Birmanns and Willy Wriggers.
Multi-Resolution Anchor-Point Registration of Biomolecular Assemblies and Their Components
.
J. Struct. Biol.
2007, Vol. 157, pp. 271-280.
Low-resolution flexible fitting:
Mirabela Rusu, Stefan Birmanns, and Willy Wriggers.
Biomolecular Pleiomorphism Probed by Spatial Interpolation of Coarse Models
.
Bioinformatics
, 2008, Vol. 24, pp. 2460-2466.
Simultaneous multi-fragment fitting with
collage
:
Stefan Birmanns,
Mirabela Rusu,
and Willy Wriggers.
Using
Sculptor
and
Situs
for Simultaneous Assembly of Atomic Components into Low-Resolution Shapes
.
J. Struct. Biol.
, Vol. 173, pp. 428–435, 2011.
Histogram density matching with
volhist
:
Willy Wriggers, Lorenzo Alamo, and Raúl Padrón.
Matching Structural Densities from Different Biophysical Origins with Gain and Bias
.
J. Struct. Biol.
, Vol. 173, pp. 445–450, 2011.
Alpha-helix detection with
voltrac
:
Mirabela Rusu and Willy Wriggers.
Evolutionary Bidirectional Expansion for the Tracing of Alpha Helices in Cryo-Electron Microscopy Reconstructions
.
J. Struct. Biol.
, Vol. 177, pp. 410-419, 2012.
Tomography filament detection with
voltrac
:
Mirabela Rusu, Zbigniew Starosolski, Manuel Wahle, Alexander Rigort, and Willy Wriggers.
Automated tracing of filaments in 3D electron tomography reconstructions using
Sculptor
and
Situs
.
J. Struct. Biol.
, Vol. 178, pp. 121-128, 2012.
Denoising with
volfltr
:
Zbigniew Starosolski, Marek Szczepanski, Manuel Wahle, Mirabela Rusu, and Willy Wriggers.
Developing a Denoising Filter for Electron Microscopy and Tomography Data in the Cloud
.
Biophysical Reviews
, Vol. 4, pp. 223-229, 2012.
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.