Molecular mechanics and dynamics of biom
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F. Fogolari; G. Esposito; P. Viglino; H. Molinari
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Article
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2001
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John Wiley and Sons
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English
β 365 KB
## Abstract An easy implementation of molecular mechanics and molecular dynamics simulation using a continuum solvent model is presented that is particularly suitable for biomolecular simulations. The computation of solvation forces is made using the linear PoissonβBoltzmann equation (polar contrib