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Computational Methods for GPCR Drug Discovery

Overview of attention for book
Cover of 'Computational Methods for GPCR Drug Discovery'

Table of Contents

  1. Altmetric Badge
    Book Overview
  2. Altmetric Badge
    Chapter 1 Current and Future Challenges in GPCR Drug Discovery
  3. Altmetric Badge
    Chapter 2 Characterization of Ligand Binding to GPCRs Through Computational Methods
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    Chapter 3 Breakthrough in GPCR Crystallography and Its Impact on Computer-Aided Drug Design
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    Chapter 4 A Structural Framework for GPCR Chemogenomics: What’s In a Residue Number?
  6. Altmetric Badge
    Chapter 5 GPCR Homology Model Generation for Lead Optimization
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    Chapter 6 GPCRs: What Can We Learn from Molecular Dynamics Simulations?
  8. Altmetric Badge
    Chapter 7 Methods of Exploring Protein–Ligand Interactions to Guide Medicinal Chemistry Efforts
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    Chapter 8 Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
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    Chapter 9 Molecular Basis of Ligand Dissociation from G Protein-Coupled Receptors and Predicting Residence Time
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    Chapter 10 Methodologies for the Examination of Water in GPCRs
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    Chapter 11 Methods for Virtual Screening of GPCR Targets: Approaches and Challenges
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    Chapter 12 Approaches for Differentiation and Interconverting GPCR Agonists and Antagonists
  14. Altmetric Badge
    Chapter 13 Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs
  15. Altmetric Badge
    Chapter 14 Challenges and Opportunities in Drug Discovery of Biased Ligands
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    Chapter 15 Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding
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    Chapter 16 Computational Support of Medicinal Chemistry in Industrial Settings
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    Chapter 17 Investigating Small-Molecule Ligand Binding to G Protein-Coupled Receptors with Biased or Unbiased Molecular Dynamics Simulations
  19. Altmetric Badge
    Chapter 18 Ligand-Based Methods in GPCR Computer-Aided Drug Design
  20. Altmetric Badge
    Chapter 19 Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery
  21. Altmetric Badge
    Chapter 20 Cheminformatics in the Service of GPCR Drug Discovery
  22. Altmetric Badge
    Chapter 21 Modeling and Deorphanization of Orphan GPCRs
Attention for Chapter 20: Cheminformatics in the Service of GPCR Drug Discovery
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Chapter title
Cheminformatics in the Service of GPCR Drug Discovery
Chapter number 20
Book title
Computational Methods for GPCR Drug Discovery
Published in
Methods in molecular biology, January 2018
DOI 10.1007/978-1-4939-7465-8_20
Pubmed ID
Book ISBNs
978-1-4939-7464-1, 978-1-4939-7465-8
Authors

Tim James

Abstract

Cheminformatics is a broad discipline covering a wide range of computational approaches, including the characterization of molecular similarity, pattern recognition, and predictive modeling. The unifying theme that these apparently disparate methods have in common is the aim of extracting useable information from the increasing amounts of data that are associated with contemporary drug discovery projects. Both proprietary and publically available data can be exploited to help inform and improve the process of developing novel therapeutic molecules targeting the GPCR family of proteins.

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X Demographics

The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 19 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 19 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 5 26%
Student > Ph. D. Student 3 16%
Student > Master 2 11%
Lecturer 1 5%
Other 1 5%
Other 3 16%
Unknown 4 21%
Readers by discipline Count As %
Pharmacology, Toxicology and Pharmaceutical Science 3 16%
Chemistry 3 16%
Biochemistry, Genetics and Molecular Biology 2 11%
Computer Science 2 11%
Agricultural and Biological Sciences 2 11%
Other 2 11%
Unknown 5 26%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 02 December 2017.
All research outputs
#15,484,498
of 23,009,818 outputs
Outputs from Methods in molecular biology
#5,388
of 13,157 outputs
Outputs of similar age
#269,746
of 442,310 outputs
Outputs of similar age from Methods in molecular biology
#596
of 1,498 outputs
Altmetric has tracked 23,009,818 research outputs across all sources so far. This one is in the 22nd percentile – i.e., 22% of other outputs scored the same or lower than it.
So far Altmetric has tracked 13,157 research outputs from this source. They receive a mean Attention Score of 3.4. This one is in the 44th percentile – i.e., 44% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 442,310 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 29th percentile – i.e., 29% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 1,498 others from the same source and published within six weeks on either side of this one. This one is in the 42nd percentile – i.e., 42% of its contemporaries scored the same or lower than it.