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Computational drug discovery and design

Overview of attention for book
Cover of 'Computational drug discovery and design'

Table of Contents

  1. Altmetric Badge
    Book Overview
  2. Altmetric Badge
    Chapter 1 A Molecular Dynamics Ensemble-Based Approach for the Mapping of Druggable Binding Sites
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    Chapter 2 Analysis of Protein Binding Sites by Computational Solvent Mapping
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    Chapter 3 Evolutionary Trace for Prediction and Redesign of Protein Functional Sites
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    Chapter 4 Information Entropic Functions for Molecular Descriptor Profiling
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    Chapter 5 Expanding the conformational selection paradigm in protein-ligand docking.
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    Chapter 6 Flexibility Analysis of Biomacromolecules with Application to Computer-Aided Drug Design
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    Chapter 7 On the Use of Molecular Dynamics Receptor Conformations for Virtual Screening
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    Chapter 8 Virtual Ligand Screening Against Comparative Protein Structure Models
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    Chapter 9 AMMOS Software: Method and Application
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    Chapter 10 Rosetta Ligand Docking with Flexible XML Protocols.
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    Chapter 11 Normal Mode-Based Approaches in Receptor Ensemble Docking
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    Chapter 12 Application of Conformational Clustering in Protein–Ligand Docking
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    Chapter 13 How to Benchmark Methods for Structure-Based Virtual Screening of Large Compound Libraries
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    Chapter 14 AGGRESCAN: Method, Application, and Perspectives for Drug Design
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    Chapter 15 ATTRACT and PTOOLS: Open Source Programs for Protein–Protein Docking
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    Chapter 16 Prediction of Interacting Protein Residues Using Sequence and Structure Data
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    Chapter 17 MM-GB/SA Rescoring of Docking Poses
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    Chapter 18 A Case Study of Scoring and Rescoring in Peptide Docking
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    Chapter 19 The Solvated Interaction Energy Method for Scoring Binding Affinities
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    Chapter 20 Linear Interaction Energy: Method and Applications in Drug Design
  22. Altmetric Badge
    Chapter 21 Computational Drug Discovery and Design
  23. Altmetric Badge
    Chapter 22 Explicit Treatment of Water Molecules in Data-Driven Protein–Protein Docking: The Solvated HADDOCKing Approach
  24. Altmetric Badge
    Chapter 23 Protein–Water Interactions in MD Simulations: POPS/POPSCOMP Solvent Accessibility Analysis, Solvation Forces and Hydration Sites
  25. Altmetric Badge
    Chapter 24 Computing the Thermodynamic Contributions of Interfacial Water
  26. Altmetric Badge
    Chapter 25 Assignment of Protonation States in Proteins and Ligands: Combining pKa Prediction with Hydrogen Bonding Network Optimization
  27. Altmetric Badge
    Chapter 26 Computational Drug Discovery and Design
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    Chapter 27 Independent-Trajectory Thermodynamic Integration: A Practical Guide to Protein-Drug Binding Free Energy Calculations Using Distributed Computing
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    Chapter 28 Free Energy Calculations from One-Step Perturbations
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    Chapter 29 Using Metadynamics and Path Collective Variables to Study Ligand Binding and Induced Conformational Transitions
  31. Altmetric Badge
    Chapter 30 Accelerated Molecular Dynamics in Computational Drug Design
  32. Altmetric Badge
    Chapter 31 Computational Drug Discovery and Design
  33. Altmetric Badge
    Chapter 32 Decomposing the Energetic Impact of Drug-Resistant Mutations: The Example of HIV-1 Protease–DRV Binding
  34. Altmetric Badge
    Chapter 33 Guide to Virtual Screening: Application to the Akt Phosphatase PHLPP.
  35. Altmetric Badge
    Chapter 34 Molecular-Level Simulation of Pandemic Influenza Glycoproteins
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    Chapter 35 Homology Modeling of Cannabinoid Receptors: Discovery of Cannabinoid Analogues for Therapeutic Use
  37. Altmetric Badge
    Chapter 36 High-Throughput Virtual Screening Lead to Discovery of Non-Peptidic Inhibitors of West Nile Virus NS3 Protease
Attention for Chapter 26: Computational Drug Discovery and Design
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About this Attention Score

  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (85th percentile)
  • High Attention Score compared to outputs of the same age and source (86th percentile)

Mentioned by

blogs
1 blog
twitter
1 X user

Citations

dimensions_citation
52 Dimensions

Readers on

mendeley
41 Mendeley
citeulike
3 CiteULike
Summary Blogs X Dimensions citations
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Chapter title
Computational Drug Discovery and Design
Chapter number 26
Book title
Computational Drug Discovery and Design
Published in
Methods in molecular biology, January 2012
DOI 10.1007/978-1-61779-465-0_26
Pubmed ID
22183551
Book ISBNs
978-1-61779-464-3, 978-1-61779-465-0
Authors

Shirts MR, Michael R. Shirts, Shirts, Michael R.

View on publisher site
X Demographics

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 41 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United Kingdom 1 2%
United States 1 2%
Portugal 1 2%
Unknown 38 93%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 10 24%
Researcher 9 22%
Student > Doctoral Student 5 12%
Professor > Associate Professor 4 10%
Student > Master 3 7%
Other 6 15%
Unknown 4 10%
Readers by discipline Count As %
Chemistry 15 37%
Pharmacology, Toxicology and Pharmaceutical Science 4 10%
Biochemistry, Genetics and Molecular Biology 4 10%
Agricultural and Biological Sciences 4 10%
Engineering 4 10%
Other 5 12%
Unknown 5 12%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 8. 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 15 December 2020.
All research outputs
#4,085,562
of 22,867,327 outputs
Outputs from Methods in molecular biology
#1,073
of 13,128 outputs
Outputs of similar age
#34,964
of 244,677 outputs
Outputs of similar age from Methods in molecular biology
#65
of 474 outputs
Altmetric has tracked 22,867,327 research outputs across all sources so far. Compared to these this one has done well and is in the 82nd percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 13,128 research outputs from this source. They receive a mean Attention Score of 3.4. This one has done particularly well, scoring higher than 91% 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 244,677 tracked outputs that were published within six weeks on either side of this one in any source. This one has done well, scoring higher than 85% of its contemporaries.
We're also able to compare this research output to 474 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 86% of its contemporaries.

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