Atomistic approaches in modern biology : From quantum chemistry to molecular simulations
- Author
- Markus Reiher
- Publication Year
- 2007
- Publisher
- Springer
- Language
- English
- Document Type
- Book
- Faculty / Subject Heading
- Chemistry and Materials Science
- Download Book Read book
This volume of Topics in Current Chemistry presents an overview of atomistic theoreticalmethodsapplied tomolecular biologicalsystems. Itthus repesents abottom-upview of chemistryonbiologyfroma theoreticalperspective. The chapters arearrangedsuchthat important issuesareconsidered startingfrom a quantum mechanical perspective and proceeding to a molecular mechanics and molecular dynamics descriptiono fthemotionoftheelementaryparticles involved.which are responsible for the properties and function of biomolecules. Depending on the length and time scales relevant for a given phenomenon to be investigated, tailored theoretical methods are required to account for these. If one is interested in large scale motions of molecules, a molecul- mechnanics-based description willbeappropriate.
Keywords: Chemistry and Materials Science / biological molecules / Biology / Chemistry / Spectroscopy / Theoretical chemistry
