title: Biomolecular simulation and modelling: status, progress and prospects.
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.
authors.affiliation: Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, UK.
authors.forename: Marc W
authors.initials: MW
authors.lastname: van der Kamp
authors.forename: Katherine E
authors.initials: KE
authors.lastname: Shaw
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Woods
authors.forename: Adrian J
authors.initials: AJ
authors.lastname: Mulholland
mesh_terms: D019295:Computational Biology / Q000379:methods* / Q000639:trends; D003198:Computer Simulation / Q000639:trends*; D004798:Enzymes / Q000737:chemistry*; D008958:Models, Molecular; D008967:Molecular Biology / Q000379:methods* / Q000639:trends; D011789:Quantum Theory
chemical_list: D004798:Enzymes