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Integrated Solutions

Commercial Software

  • Cerius2: QSPR, QSAR, visualization, structure refinement, MOPAC, LigandFit, IR/Raman prediction, ...
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  • Shareware/Freeware

  • Chem2Pac: integrates MOPAC, RasMol, Mol2Pov, PovRay, Babel, a conformational search module, ...
  • GROMACS: fully automated topology builder for proteins, molecular dynamics, leap-frog integrator, position langevin dynamics, normal mode analysis, electrostatics, non-equilibrium MD, NMR refinement with NOE data, large number of powerful analysis tools, ...
  • WinGX: solving, refining and analysing single crystal X-ray diffraction data for small molecules


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