Nova Science Publishers, Inc., 2015. — 114 p. — ISBN: 1634833880.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; a step-wise process for inferring the stereo structure of proteins constructed using related stereo structures and amino acid sequence; and quantitative in silico analysis of D-amino acid oxidase and alcohol oxidoreductase; an analysis of the reaction selectivity of alanine racemase mutants. 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.
Contents
Finite Element Based Multiscale Modeling Using the Bridging Cell Method
Basic Properties of a Molecular Mechanics Program and the Generation of Unknown
Stereo Structures of Proteins for Quantitative Analysis of Enzyme Reactions
Quantitative In Silico Analysis of Alanine Racemase Reactivity
Graphene Layer Pore Models for Molecule-Surface Binding Energies
