Situs is a modular and widely used software package for the integration of biophysical data
across the spatial resolution scales. It has been developed over the last decade with a focus …

Situs is a modular program package for the multi-scale modeling of atomic resolution
structures and low-resolution biophysical data from electron microscopy, tomography or …

Here, we employed the collective motions extracted from Normal Mode Analysis (NMA) in
internal coordinates (torsional space) for the flexible fitting of atomic-resolution structures …

Structural studies of large proteins and protein assemblies are a difficult and pressing
challenge in molecular biology. Experiments often yield only low-resolution or sparse data …

Muscle contraction involves the interaction of the myosin heads of the thick filaments with
actin subunits of the thin filaments. Relaxation occurs when this interaction is blocked by …

Coarse-grained (CG) models of large biomolecular complexes enable simulations of these
systems over long timescales that are not accessible for atomistic molecular dynamics (MD) …

We describe an integrated software system called Sculptor that combines visualization
capabilities with molecular modeling algorithms for the analysis of multi-scale data sets …

Systems and methods for test object classification are pro vided in which the test object is
docked with a target object in a plurality of different poses to form voxel maps. The maps are …

Cryo‐electron microscopy is a powerful technique for the determination of three‐
dimensional (3D) structures of macromolecular machines, as it provides functional …

High-resolution atomistic structures of many large biomolecular complexes have not yet
been solved by experiments, such as X-ray crystallography or NMR. Often however low …