|
Showing 1 - 6 of
6 matches in All Departments
Molecular simulation is a widely used tool in biology,
chemistry, physics and engineering. This book contains a collection
of articles by leading researchers who are developing new methods
for molecular modelling and simulation. Topics addressed here
include: multiscale formulations for biomolecular modelling, such
as quantum-classical methods and advanced solvation techniques;
protein folding methods and schemes for sampling complex
landscapes; membrane simulations; free energy calculation; and
techniques for improving ergodicity. The book is meant to be useful
for practitioners in the simulation community and for those new to
molecular simulation who require a broad introduction to the state
of the art.
This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.
|
|