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Scigress

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  • 1 chapter

Related on Lably

Through Biomolecule, Protein and Thermodynamics

LabBiomolecules of LifeLabBiomoleculesLab · Class 11Biomolecules — Animated Chapter FilmLabBiomolecules

Functions and use cases

  • Molecule editing.
  • Theory levels: DFT, semi-empirical, molecular mechanics and dynamics.
  • Determination of low energy conformations and thermodynamic properties.
  • Calculation and 3D visualization of electronic properties, such as partial charges, orbitals, electron densities, and electrostatic surfaces.
  • Analysis of transition states and intrinsic reaction coordinates.
  • Infrared, UV, and NMR spectroscopy.
  • Study of phase transitions, expansion, crystal defects, compressibility, tensile strength, adsorption, absorption, and thermal conductivity.
  • Protein handling and protein-ligand docking.

More in General

EngineeringApplied science and researchTechnologyUse of knowledge for practical goalsElectrical engineeringBranch of engineeringResearch and developmentGeneral term for activities in connection with corporate or governmental innovationCivil engineeringEngineering discipline focused on physical infrastructureProblem solvingProcess of achieving a goal by overcoming obstacles