Exploring current themes in modern computational and membrane protein biophysics, this book presents a comprehensive account of the fundamental principles underlying different methods and techniques used to describe the intriguing mechanisms by which membrane proteins function. The book discusses the experimental approaches employed to study these proteins, with chapters reviewing recent crucial structural advances that have allowed computational biophysicists to discern how these molecular machines work. The book then explores what computational methods are available to researchers and what these have taught us about three key families of membrane proteins: ion channels, transporters and receptors. The book is ideal for researchers in computational chemistry and computational biophysics.
Spis treści
Introduction to the Structural Biology of Membrane Proteins;
Molecular Dynamics Simulations: Principles and Applications for the Study of Membrane Proteins;
Free Energy Calculations for Understanding Membrane Receptors;
Non-atomistic Simulations of Ion Channels;
Experimental and Computational Approaches to Study Membranes and Lipid-Protein Interactions;
Computer Simulation of Ion Channels;
Computational Characterization of Molecular Mechanisms of Membrane Transporter Function;
Computational Studies of Receptors
O autorze
Carmen Domene is a Reader in Computational Chemistry at King’s College London, UK. Her research group applies principles from quantum mechanics and statistical thermodynamics to model biomolecular phenomena with computer simulations.
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