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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
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    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?
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    Chapter 5 GPCR Homology Model Generation for Lead Optimization
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    Chapter 6 GPCRs: What Can We Learn from Molecular Dynamics Simulations?
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    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
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    Chapter 13 Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs
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    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
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    Chapter 18 Ligand-Based Methods in GPCR Computer-Aided Drug Design
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    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
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    Chapter 21 Modeling and Deorphanization of Orphan GPCRs
Attention for Chapter 10: Methodologies for the Examination of Water in GPCRs
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  • High Attention Score compared to outputs of the same age and source (89th percentile)

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Chapter title
Methodologies for the Examination of Water in GPCRs
Chapter number 10
Book title
Computational Methods for GPCR Drug Discovery
Published in
Methods in molecular biology, January 2018
DOI 10.1007/978-1-4939-7465-8_10
Pubmed ID
Book ISBNs
978-1-4939-7464-1, 978-1-4939-7465-8
Authors

Andrea Bortolato, Benjamin G. Tehan, Robert T. Smith, Jonathan S. Mason

Abstract

The following chapter examines some of the current "state-of-the-art" tools for predicting, scoring, and examining explicit water molecules in proteins and protein/ligand complexes, highlighting some of the ways information can be readily examined in a manner that is useful in a drug discovery process.

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X Demographics

The data shown below were collected from the profiles of 9 X users 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 16 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 16 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 4 25%
Student > Ph. D. Student 4 25%
Student > Bachelor 2 13%
Student > Doctoral Student 1 6%
Other 1 6%
Other 2 13%
Unknown 2 13%
Readers by discipline Count As %
Chemistry 7 44%
Agricultural and Biological Sciences 3 19%
Biochemistry, Genetics and Molecular Biology 2 13%
Medicine and Dentistry 1 6%
Pharmacology, Toxicology and Pharmaceutical Science 1 6%
Other 0 0%
Unknown 2 13%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 5. 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 19 September 2018.
All research outputs
#6,060,095
of 23,009,818 outputs
Outputs from Methods in molecular biology
#1,787
of 13,157 outputs
Outputs of similar age
#121,402
of 442,310 outputs
Outputs of similar age from Methods in molecular biology
#156
of 1,498 outputs
Altmetric has tracked 23,009,818 research outputs across all sources so far. This one has received more attention than most of these and is in the 73rd percentile.
So far Altmetric has tracked 13,157 research outputs from this source. They receive a mean Attention Score of 3.4. This one has done well, scoring higher than 86% of its peers.
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 has gotten more attention than average, scoring higher than 72% of its contemporaries.
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 has done well, scoring higher than 89% of its contemporaries.