Contemporary Methods in Modeling Biological Systems
From Theory to Application
Buch in deiner Nähe kaufen
Beschreibung
This contributed volume offers a comprehensive overview of contemporary methods for modeling biological systems. It covers a range of topics, from theoretical models that predict molecular and catalytic properties to specialized techniques for modeling excited states and photoactive proteins. The book also explores modern empirical and data-driven methods for modeling large systems across extensive time scales. The basis set dependence in quantum chemical calculations that provide efficient strategies to enhance result precision is also presented while the application of these cutting-edge methods in pharmaceutical research, computational virology, and antioxidative properties is thoroughly overviewed. This book offers an invaluable resource for graduates, postgraduates and researchers in academia, industry, and laboratories interested in this field.
This contributed volume offers a comprehensive overview of contemporary methods for modeling biological systems. It covers a range of topics, from theoretical models that predict molecular and catalytic properties to specialized techniques for modeling excited states and photoactive proteins. The book also explores modern empirical and data-driven methods for modeling large systems across extensive time scales. The basis set dependence in quantum chemical calculations that provide efficient strategies to enhance result precision is also presented while the application of these cutting-edge methods in pharmaceutical research, computational virology, and antioxidative properties is thoroughly overviewed. This book offers an invaluable resource for graduates, postgraduates and researchers in academia, industry, and laboratories interested in this field.
Provides reviews on computational studies of biologically relevant systems Presents methods of modeling large biological systems and long time scales Includes non-empirical approximate models for predicting molecular properties and catalytic effects
Autor*in
Paweł Kędzierski
Themen in »Contemporary Methods in Modeling Biological Systems«
modeling of biomolecules theoretical models of molecular properties theoretical chemistry in pharmaceutical research computational virology catalytic fields photoactive proteins excitonic couplings theoretical studies of antioxidants modeling protein structure, interactions and dynamics