Individual software packages for nanoscale modeling availiable on the market are tailored to study a wide range of systems and to calculate a variety of their properties. The increasing number of such packages leads to a vast amount of ways to run simulations; often a combination of different software is a must to have thing. As each software requires specialized training, the simulation setup becomes increasingly complex. VIKING includes a number of designed tasks that eliminate this complexity and include the possibility to study:

Advanced atomic properties
  • Atomic charges
  • Polarizabilities
  • Nuclear shielding tensors
  • Electronic excitations
  • Atomic orbitals
Quantum chemistry
  • Chemical reactions
  • Molecular properties
  • Chemical and electronic structure
  • Electronic excitations
  • Molecular orbitals
  • Radical pair dynamics
Molecular dynamics
  • All-atom molecular dynamics simulations
  • Energy minimization and equilibration
  • A wide range of analysis tools
  • Varied statistical ensembles
  • Free energy perturbation
Drug discovery
  • Molecular docking
  • Virtual screening
Molecular spectroscopy
  • Infrared spectroscopy
  • UV spectroscopy
  • Raman spectroscopy
  • Circular dichroism spectra
  • Molecular vibrations
Supramolecular assemblies
  • Interaction of macromolecules at the nanoscale
  • Protein/membrane/DNA assemblies
  • Molecular mechanisms of enzymatic activity
Genome editing studies
ProfileIt™ INDEL profiling tool (trademark of Cobo Technologies™).
  • Processing of files produced by genetic analyzing devices
  • Visualization of sample profiles
  • INDEL profiling (statistics & publication-quality images)
  • Individual peak analysis