Wang L. (ed.) Molecular Dynamics - Studies of Synthetic and Biological Macromolecules

InTech, 2012. - 443 p. - Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This book is a compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. This book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines.Dynamics of Polymers
Introduction to Molecular Dynamics Simulations: Applications in Hard and Soft Condensed Matter Physics
Molecular Dynamics Simulation of Synthetic Polymers
Backbone Connectivity and Collective Aggregation Phenomena in Polymer Systems
Molecular Dynamics Simulation of Permeation in Polymers
Dynamics of Biomolecules
M.DynaMix Studies of Solvation, Solubility and Permeability
Practical Estimation of TCR-pMHC Binding Free-Energy Based on the Dielectric Model and the Coarse-Grained Model
An Assessment of the Conformational Profile of Neuromedin B Using Different Computational Sampling Procedures
Essential Dynamics on Different Biological Systems: Fis Protein, tvMybl Transcriptional Factor and BACE1 Enzyme
MM-GB(PB)SA Calculations of Protein-Ligand Binding Free Energies
Dynamics of Plasmas
Micro-Heterogeneity in Complex Liquids
Application of Molecular Dynamics Simulations to Plasma Etch Damage in Advanced Metal-Oxide-Semiconductor Field-Effect Transistors
Molecular Dynamics Simulations of Complex (Dusty) Plasmas
Dynamics at the Interface
Studies of Cardio Toxin Protein Adsorption on Mixed Self-Assembled Monolayers Using Molecular Dynamics Simulations
Simulations of Unusual Properties of Water Inside Carbon Nanotubes
Applications of A11-Atom Molecular Dynamics to Nanoflu id ics
Dynamics of Nanomachines
Analysis of the Atomization Process by Molecular Dynamics Simulation
Molecular Dynamics Simulation of Nanoscale Machining
High-Throughput Simulations of Protein Dynamics in Molecular Machines: The 'Link' Domain of RNA Polymerase