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Biomolecular Simulations

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Cover of 'Biomolecular Simulations'

Table of Contents

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    Book Overview
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    Chapter 1 Ab Initio , Density Functional Theory, and Semi-Empirical Calculations
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    Chapter 2 Ab Initio Molecular Dynamics
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    Chapter 3 Introduction to QM/MM Simulations.
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    Chapter 4 Computational Enzymology
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    Chapter 5 QM and QM/MM Simulations of Proteins
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    Chapter 6 Classical Molecular Dynamics in a Nutshell
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    Chapter 7 Enhanced Sampling Algorithms
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    Chapter 8 Force Fields for Classical Molecular Dynamics
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    Chapter 9 Polarizable Force Fields
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    Chapter 10 Electrostatics Interactions in Classical Simulations
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    Chapter 11 An introduction to best practices in free energy calculations.
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    Chapter 12 Recipes for Free Energy Calculations in Biomolecular Systems
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    Chapter 13 Molecular Docking Methodologies
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    Chapter 14 Simulation Studies of the Mechanism of Membrane Transporters
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    Chapter 15 Molecular Dynamics Simulations of Lipid Bilayers: Simple Recipe of How to Do It
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    Chapter 16 Simulations of Lipid Monolayers
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    Chapter 17 Simulating DNA by Molecular Dynamics: Aims, Methods, and Validation
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    Chapter 18 Simulation of Carbohydrates, from Molecular Docking to Dynamics in Water
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    Chapter 19 Systematic Methods for Structurally Consistent Coarse-Grained Models
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    Chapter 20 The Martini Coarse-Grained Force Field
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    Chapter 21 Multiscale Molecular Modeling
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    Chapter 22 Coarse-Grained Models for Protein Folding and Aggregation
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    Chapter 23 Elastic Network Models: Theoretical and Empirical Foundations
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    Chapter 24 An Introduction to Dissipative Particle Dynamics
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    Chapter 25 Multiscale Molecular Dynamics Simulations of Membrane Proteins
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    Chapter 26 Vesicles and Vesicle Fusion: Coarse-Grained Simulations
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  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (93rd percentile)
  • High Attention Score compared to outputs of the same age and source (96th percentile)

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