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Book Synopsis
This book focuses on the latest developments in molecular mechanics and modeling research. Included in this book are chapters reviewing the progress of the bridging cell method (BCM) in its formulation and its nanostructure and material modeling applications; an analysis of the reaction selectivity of alanine racemase mutants; and a step-wise process for inferring the stereo structure of proteins constructed using related stereo structures. Lastly, molecular mechanics based models have proven to provide a representation of average carbon porosity and enable computational estimates of molecule-surface interaction energies. In the last chapter, the authors focus on graphene layer pore models for molecule-surface binding energies.

Molecular Mechanics & Modeling

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    A Hardback by Priscilla Watkins

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      Book details

      Publisher Nova Science Publishers Inc
      Published 1 September 2015
      ISBN-13 9781634833882
      978-1634833882
      ISBN-10 1634833880
      Also in:
      Science & Nature Chemistry

      Description

      Book Synopsis
      This book focuses on the latest developments in molecular mechanics and modeling research. Included in this book are chapters reviewing the progress of the bridging cell method (BCM) in its formulation and its nanostructure and material modeling applications; an analysis of the reaction selectivity of alanine racemase mutants; and a step-wise process for inferring the stereo structure of proteins constructed using related stereo structures. Lastly, molecular mechanics based models have proven to provide a representation of average carbon porosity and enable computational estimates of molecule-surface interaction energies. In the last chapter, the authors focus on graphene layer pore models for molecule-surface binding energies.

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