Molecular modelling is a collection of techniques to model or mimic the behaviour of molecules.

See also

• Quantum mechanics
• Computational chemistry
• Molecular mechanics
• Molecular dynamics
• Monte Carlo method
• Conformational analysis
• Protein structure prediction

References

• A.R. Leach, Molecular Modelling: Principles and Applications, 2001, ISBN 0-582-38210-6
• Daan Frenkel, Berend Smit Understanding Molecular Simulation: From Algorithms to Applications, 1996, ISBN 0-12-267370-0