Biomolecular simulation and modelling: status, progress and prospects

Research output: Contribution to journalArticle (Academic Journal)

63 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)S173-90
JournalJournal of the Royal Society Interface
Volume5 Suppl 3
DOIs
Publication statusPublished - 6 Dec 2008

Keywords

  • Quantum Theory
  • Computer Simulation
  • Molecular Biology
  • Models, Molecular
  • Enzymes
  • Computational Biology

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