Section 52
Chapter 51,819

Biomolecular simulation and modelling: status, progress and prospects

Van der Kamp, M.W.; Shaw, K.E.; Woods, C.J.; Mulholland, A.J.

Journal of the Royal Society Interface 5(Suppl 3): S173-S190


ISSN/ISBN: 1742-5689
PMID: 18611844
DOI: 10.1098/rsif.2008.0105.focus
Accession: 051818099

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Molecular simulation is increasingly demonstrating its practical value in the investigation of biological systems. Computational modelling of biomolecular systems is an exciting and rapidly developing area, which is expanding significantly in scope. A range of simulation methods has been developed that can be applied to study a wide variety of problems in structural biology and at the interfaces between physics, chemistry and biology. Here, we give an overview of methods and some recent developments in atomistic biomolecular simulation. Some recent applications and theoretical developments are highlighted.

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