Abstract
Molecular dynamics simulations are widely used today to tackle problems
in biochemistry and molecular biology. In the 25 years since the
first simulation of a protein computers have become faster by many
orders of magnitude, algorithms and force fields have been improved,
and simulations can now be applied to very large systems, such as
protein-nucleic acid complexes and multimeric proteins in aqueous
solution. In this review we give a general background about molecular
dynamics simulations, and then focus on some recent technical advances,
with applications to biologically relevant problems.
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