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

Molecular Modeling of Proteins

Overview of attention for book
Cover of 'Molecular Modeling of Proteins'

Table of Contents

  1. Altmetric Badge
    Book Overview
  2. Altmetric Badge
    Chapter 1 Molecular dynamics simulations.
  3. Altmetric Badge
    Chapter 2 Transition Path Sampling with Quantum/Classical Mechanics for Reaction Rates
  4. Altmetric Badge
    Chapter 3 Current status of protein force fields for molecular dynamics simulations.
  5. Altmetric Badge
    Chapter 4 Lipid Membranes for Membrane Proteins
  6. Altmetric Badge
    Chapter 5 Molecular Dynamics Simulations of Membrane Proteins
  7. Altmetric Badge
    Chapter 6 Membrane-Associated Proteins and Peptides
  8. Altmetric Badge
    Chapter 7 Coarse-grained force fields for molecular simulations.
  9. Altmetric Badge
    Chapter 8 Tackling sampling challenges in biomolecular simulations.
  10. Altmetric Badge
    Chapter 9 Calculation of Binding Free Energies
  11. Altmetric Badge
    Chapter 10 The use of experimental structures to model protein dynamics.
  12. Altmetric Badge
    Chapter 11 Computing ensembles of transitions with molecular dynamics simulations.
  13. Altmetric Badge
    Chapter 12 Accelerated Molecular Dynamics and Protein Conformational Change: A Theoretical and Practical Guide Using a Membrane Embedded Model Neurotransmitter Transporter
  14. Altmetric Badge
    Chapter 13 Simulations and Experiments in Protein Folding
  15. Altmetric Badge
    Chapter 14 Comparative Modeling of Proteins
  16. Altmetric Badge
    Chapter 15 De Novo Membrane Protein Structure Prediction
  17. Altmetric Badge
    Chapter 16 NMR-Based Modeling and Refinement of Protein 3D Structures
  18. Altmetric Badge
    Chapter 17 Methods for Predicting Protein–Ligand Binding Sites
  19. Altmetric Badge
    Chapter 18 Information-Driven Structural Modelling of Protein–Protein Interactions
  20. Altmetric Badge
    Chapter 19 Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking.
  21. Altmetric Badge
    Chapter 20 Molecular Docking to Flexible Targets
Attention for Chapter 19: Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking.
Altmetric Badge

Mentioned by

twitter
1 X user

Citations

dimensions_citation
32 Dimensions

Readers on

mendeley
32 Mendeley
Summary X 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
Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking.
Chapter number 19
Book title
Molecular Modeling of Proteins
Published in
Methods in molecular biology, October 2014
DOI 10.1007/978-1-4939-1465-4_19
Pubmed ID
25330974
Book ISBNs
978-1-4939-1464-7, 978-1-4939-1465-4
Authors

Wishart DS, David S. Wishart

Abstract

The availability of 3D models of both drug leads (small molecule ligands) and drug targets (proteins) is essential to molecular docking and computational drug discovery. This chapter describes a simple approach that can be used to identify both drug leads and drug targets using two popular Web-accessible databases: (1) DrugBank and (2) The Human Metabolome Database. First, it is illustrated how putative drug targets and drug leads for exogenous diseases (i.e., infectious diseases) can be readily identified and their 3D structures selected using only the genomic sequences from pathogenic bacteria or viruses as input. The second part illustrates how putative drug targets and drug leads for endogenous diseases (i.e., noninfectious diseases or chronic conditions) can be identified using similar databases and similar sequence input. This chapter is intended to illustrate how bioinformatics and cheminformatics can work synergistically to help provide the necessary inputs for computer-aided drug design.

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

Geographical breakdown

Country Count As %
Indonesia 1 3%
United States 1 3%
Unknown 30 94%

Demographic breakdown

Readers by professional status Count As %
Researcher 7 22%
Student > Ph. D. Student 7 22%
Professor 4 13%
Student > Bachelor 3 9%
Professor > Associate Professor 3 9%
Other 6 19%
Unknown 2 6%
Readers by discipline Count As %
Chemistry 7 22%
Agricultural and Biological Sciences 6 19%
Biochemistry, Genetics and Molecular Biology 4 13%
Nursing and Health Professions 2 6%
Computer Science 2 6%
Other 6 19%
Unknown 5 16%
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 09 January 2015.
All research outputs
#18,388,295
of 22,776,824 outputs
Outputs from Methods in molecular biology
#7,871
of 13,092 outputs
Outputs of similar age
#186,162
of 260,347 outputs
Outputs of similar age from Methods in molecular biology
#64
of 127 outputs
Altmetric has tracked 22,776,824 research outputs across all sources so far. This one is in the 11th percentile – i.e., 11% of other outputs scored the same or lower than it.
So far Altmetric has tracked 13,092 research outputs from this source. They receive a mean Attention Score of 3.3. This one is in the 24th percentile – i.e., 24% 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 260,347 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 16th percentile – i.e., 16% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 127 others from the same source and published within six weeks on either side of this one. This one is in the 27th percentile – i.e., 27% of its contemporaries scored the same or lower than it.

This page is provided by Altmetric.