Interaction analysis for molecular structures and ensembles
Virtually all fundamental biological processes are driven by proteins. The molecular functions of proteins (e.g. ligand-binding) are governed by networks of molecular interactions such as hydrogen bonds and van der Waals interactions
Answer these questions and many other such questions using 'getcontacts' - a package developed exclusively to dissect and visualize molecular interactions from structures and dynamics of proteins. GetContacts is equipped to handle structures and dynamics data from a variety of technologies including X-ray crystallography, NMR, Cryo-EM, and MD simulations.
Example applications:
Example applications:
Example applications:
Example applications:
Example applications: