Molecular Dynamics of Nanobiostructures de Kholmirzo Kholmurodov

Molecular Dynamics of Nanobiostructures

Kholmirzo Kholmurodov

A lot of discoveries in modern science and technology, in particular, recent progress in nanotechnologies, are inseparably linked with the use of computer molecular simulation methods. Today, molecular simulation is one of the basic instruments in exploring the properties of nano- and biostructures. Molecular simulation is a practical tool for the development of new materials and new drugs, as well as for performing large-scale calculations on molecular complexes of hundreds of thousands or multi-million particle systems. In this book, original papers are collected that demonstrate efficient uses of molecular dynamics (MD) simulation for studying nanoscale phenomena in a number of models from material and life sciences.

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Cuprins

Preface; Molecular Simulations in Material & Biological Research: An Introduction; Combined Use of the Synchrotron Radiation & the First- Principles Calculations for the Local Environment Analysis of Dopants; Chromophore Rearrangement in Binding Pocket of Rhodopsin Makes Sense for its Physiological Dark-Adapted State: Computer Molecular Simulation Study; Molecular Dynamics Study of Human Red Blood Cell Membrane; Generalized-Ensemble Simulations in Protein Science; Lateral Heterogeneity as an Intrinsic Property of Hydrated Lipid Bilayers: A Molecular Dynamics Study; Large Modeling the Cholesteric Phase of the DNA; Ab Initio Molecular Dynamics Study of Disordered Materials; Mechanic & Electric Properties of Graphene Ribbon-Carbon Nanotube Nanostructures; Modeling Structure of the Light Harvesting Complex LH1 from the Bacterial Photosynthetic Center of Thermochromatium tepidum; Molecular Dynamics Simulation of Water Adsorbed on Ice Nucleation Protein; MD Simulations on the Structure of Onco-Proteins P53: Wild-Type & Radioresistant Mutant Systems; Index.