Atomistic approaches in modern biology : From quantum chemistry to molecular simulations

Atomistic approaches in modern biology : From quantum chemistry to molecular simulations

المؤلف
Markus Reiher
سنة النشر
الناشر
اللغة
نوع الوثيقة
الموضوع الرئيسي
رمز الوثيقة

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.



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