↓ Skip to main content
What is this page? Embed badge

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
  3. Altmetric Badge
    Chapter 2 Analysis of Protein Binding Sites by Computational Solvent Mapping
  4. Altmetric Badge
    Chapter 3 Evolutionary Trace for Prediction and Redesign of Protein Functional Sites
  5. Altmetric Badge
    Chapter 4 Information Entropic Functions for Molecular Descriptor Profiling
  6. Altmetric Badge
    Chapter 5 Expanding the conformational selection paradigm in protein-ligand docking.
  7. Altmetric Badge
    Chapter 6 Flexibility Analysis of Biomacromolecules with Application to Computer-Aided Drug Design
  8. Altmetric Badge
    Chapter 7 On the Use of Molecular Dynamics Receptor Conformations for Virtual Screening
  9. Altmetric Badge
    Chapter 8 Virtual Ligand Screening Against Comparative Protein Structure Models
  10. Altmetric Badge
    Chapter 9 AMMOS Software: Method and Application
  11. Altmetric Badge
    Chapter 10 Rosetta Ligand Docking with Flexible XML Protocols.
  12. Altmetric Badge
    Chapter 11 Normal Mode-Based Approaches in Receptor Ensemble Docking
  13. Altmetric Badge
    Chapter 12 Application of Conformational Clustering in Protein–Ligand Docking
  14. Altmetric Badge
    Chapter 13 How to Benchmark Methods for Structure-Based Virtual Screening of Large Compound Libraries
  15. Altmetric Badge
    Chapter 14 AGGRESCAN: Method, Application, and Perspectives for Drug Design
  16. Altmetric Badge
    Chapter 15 ATTRACT and PTOOLS: Open Source Programs for Protein–Protein Docking
  17. Altmetric Badge
    Chapter 16 Prediction of Interacting Protein Residues Using Sequence and Structure Data
  18. Altmetric Badge
    Chapter 17 MM-GB/SA Rescoring of Docking Poses
  19. Altmetric Badge
    Chapter 18 A Case Study of Scoring and Rescoring in Peptide Docking
  20. Altmetric Badge
    Chapter 19 The Solvated Interaction Energy Method for Scoring Binding Affinities
  21. Altmetric Badge
    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
  28. Altmetric Badge
    Chapter 27 Independent-Trajectory Thermodynamic Integration: A Practical Guide to Protein-Drug Binding Free Energy Calculations Using Distributed Computing
  29. Altmetric Badge
    Chapter 28 Free Energy Calculations from One-Step Perturbations
  30. Altmetric Badge
    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
  36. Altmetric Badge
    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 8: Virtual Ligand Screening Against Comparative Protein Structure Models
Altmetric Badge

About this Attention Score

  • Average Attention Score compared to outputs of the same age
  • Above-average Attention Score compared to outputs of the same age and source (51st percentile)

Mentioned by

patent
4 patents

Citations

dimensions_citation
52 Dimensions

Readers on

mendeley
45 Mendeley
Summary Patents Dimensions citations
You are seeing a free-to-access but limited selection of the activity Altmetric has collected about this research output. Click here to find out more.
Chapter title
Virtual Ligand Screening Against Comparative Protein Structure Models
Chapter number 8
Book title
Computational Drug Discovery and Design
Published in
Methods in molecular biology, January 2012
DOI 10.1007/978-1-61779-465-0_8
Pubmed ID
22183533
Book ISBNs
978-1-61779-464-3, 978-1-61779-465-0
Authors

Hao Fan, John J. Irwin, Andrej Sali, Fan, Hao, Irwin, John J., Sali, Andrej

View on publisher site
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 45 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Germany 2 4%
Indonesia 2 4%
Turkey 1 2%
Australia 1 2%
United Kingdom 1 2%
Sri Lanka 1 2%
Unknown 37 82%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 14 31%
Researcher 13 29%
Student > Bachelor 7 16%
Professor 4 9%
Student > Doctoral Student 2 4%
Other 4 9%
Unknown 1 2%
Readers by discipline Count As %
Chemistry 14 31%
Agricultural and Biological Sciences 13 29%
Biochemistry, Genetics and Molecular Biology 7 16%
Pharmacology, Toxicology and Pharmaceutical Science 2 4%
Computer Science 2 4%
Other 4 9%
Unknown 3 7%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 3. 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 10 June 2021.
All research outputs
#7,554,540
of 23,045,021 outputs
Outputs from Methods in molecular biology
#2,342
of 13,194 outputs
Outputs of similar age
#71,375
of 245,534 outputs
Outputs of similar age from Methods in molecular biology
#139
of 477 outputs
Altmetric has tracked 23,045,021 research outputs across all sources so far. This one is in the 44th percentile – i.e., 44% of other outputs scored the same or lower than it.
So far Altmetric has tracked 13,194 research outputs from this source. They receive a mean Attention Score of 3.4. This one has done well, scoring higher than 76% 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 245,534 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 41st percentile – i.e., 41% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 477 others from the same source and published within six weeks on either side of this one. This one has gotten more attention than average, scoring higher than 51% of its contemporaries.

This page is provided by Altmetric.