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Quantum Mechanics in Drug Discovery

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Cover of 'Quantum Mechanics in Drug Discovery'

Table of Contents

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    Book Overview
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    Chapter 1 Current and Future Challenges in Modern Drug Discovery
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    Chapter 2 QM Implementation in Drug Design: Does It Really Help?
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    Chapter 3 Guiding Medicinal Chemistry with Fragment Molecular Orbital (FMO) Method
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    Chapter 4 Analyzing Interactions with the Fragment Molecular Orbital Method
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    Chapter 5 Underappreciated Chemical Interactions in Protein–Ligand Complexes
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    Chapter 7 Taking Water into Account with the Fragment Molecular Orbital Method
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    Chapter 8 Computational Methods for Biochemical Simulations Implemented in GAMESS
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    Chapter 9 Accurate Scoring in Seconds with the Fragment Molecular Orbital and Density-Functional Tight-Binding Methods
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    Chapter 10 Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?
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    Chapter 11 Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
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    Chapter 12 Characterizing Rhodopsin-Arrestin Interactions with the Fragment Molecular Orbital (FMO) Method
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    Chapter 13 Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital Method
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    Chapter 14 Conformational Searching with Quantum Mechanics
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    Chapter 17 Molecular Docking Using Quantum Mechanical-Based Methods
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    Chapter 18 QM Calculations in ADMET Prediction
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    Chapter 20 What Next for Quantum Mechanics in Structure-Based Drug Discovery?
Attention for Chapter 2: QM Implementation in Drug Design: Does It Really Help?
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Citations

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Chapter title
QM Implementation in Drug Design: Does It Really Help?
Chapter number 2
Book title
Quantum Mechanics in Drug Discovery
Published by
Humana, New York, NY, February 2020
DOI 10.1007/978-1-0716-0282-9_2
Pubmed ID
Book ISBNs
978-1-07-160281-2, 978-1-07-160282-9
Authors

Jinfeng Liu, Xiao He, Liu, Jinfeng, He, Xiao

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 10 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 10 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 2 20%
Unspecified 1 10%
Student > Bachelor 1 10%
Researcher 1 10%
Student > Doctoral Student 1 10%
Other 0 0%
Unknown 4 40%
Readers by discipline Count As %
Unspecified 1 10%
Biochemistry, Genetics and Molecular Biology 1 10%
Agricultural and Biological Sciences 1 10%
Chemistry 1 10%
Engineering 1 10%
Other 0 0%
Unknown 5 50%