Simulating enzyme reactivity

Table of Contents: “…Perspective on Computer Modelling of Enzymatic Reactions; Fundamentals of Enzymatic Catalysis: Determination of Rate Constants; A Transition State Theory Perspective for Enzymatic Reactions: Fundamentals and Applications; Electron Transfer Reactions in Enzymes: Seven Things that Might Break Down in Vanilla Marcus Theory and How to Fix Them if They Do; Kinetic Isotope Effects; Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations; Methods to Trace Conformational Transitions; Key Concepts and Applications of ONIOM Methods; First Principles Methods in Biology: From Continuum Models to Hybrid Ab initio Quantum Mechanics/Molecular Mechanics; Nuclear Quantum Effects in Enzymatic Reactions; QM/MM Methods for Simulating Enzyme Reactions; Ribozymes; Effects of Water and Non-aqueous Solvents on Enzyme Activity; Modelling Reactivity in Metalloproteins: Hydrogen Peroxide Decomposition by Haem Enzymes; Enzyme Design…”

Natural polymers

Table of Contents: “…Natural polymers: an overview -- Biomimetics: inspiration from the structural organization of biological systems -- Natural fibres as composite reinforcement materials: description and new sources -- Relation between structural anisotropy in natural fibres and mechanical properties in composites -- Flame retardant characteristics of natural fibre composites -- Natural fibre composites: automotive applications -- Water vapour sorption of natural fibres -- Environmentally friendly coupling agents for natural fibre composites -- Probing interfacial interactions in natural fibre reinforced biocomposites using colloidal force microscopy -- Zein: structure, production, film properties and applications -- Silk fibre composites -- Hybrid composite structures from collagenous wastes and environmental friendly polymers: preparation, properties and applications -- Spider silk: the toughest natural polymer -- Mussel byssus fibres: a tough biopolymer…”