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X Demographics
Mendeley readers
Attention Score in Context
| Chapter title |
Absolute Alchemical Free Energy Calculations for Ligand Binding: A Beginner’s Guide
|
|---|---|
| Chapter number | 11 |
| Book title |
Computational Drug Discovery and Design
|
| Published in |
Methods in molecular biology, January 2018
|
| DOI | 10.1007/978-1-4939-7756-7_11 |
| Pubmed ID | |
| Book ISBNs |
978-1-4939-7755-0, 978-1-4939-7756-7
|
| Authors |
Matteo Aldeghi, Joseph P. Bluck, Philip C. Biggin, Aldeghi, Matteo, Bluck, Joseph P., Biggin, Philip C. |
| Abstract |
Many thermodynamic quantities can be extracted from computer simulations that generate an ensemble of microstates according to the principles of statistical mechanics. Among these quantities is the free energy of binding of a small molecule to a macromolecule, such as a protein. Here, we present an introductory overview of a protocol that allows for the estimation of ligand binding free energies via molecular dynamics simulations. While we focus on the binding of organic molecules to proteins, the approach is in principle transferable to any pair of molecules. |
X Demographics
The data shown below were collected from the profiles of 10 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| France | 2 | 20% |
| United States | 2 | 20% |
| Turkey | 1 | 10% |
| United Kingdom | 1 | 10% |
| Belgium | 1 | 10% |
| Unknown | 3 | 30% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 6 | 60% |
| Scientists | 4 | 40% |
Mendeley readers
The data shown below were compiled from readership statistics for 87 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 87 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 22 | 25% |
| Researcher | 17 | 20% |
| Student > Master | 14 | 16% |
| Student > Bachelor | 5 | 6% |
| Student > Doctoral Student | 4 | 5% |
| Other | 10 | 11% |
| Unknown | 15 | 17% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 30 | 34% |
| Biochemistry, Genetics and Molecular Biology | 16 | 18% |
| Computer Science | 4 | 5% |
| Physics and Astronomy | 4 | 5% |
| Pharmacology, Toxicology and Pharmaceutical Science | 2 | 2% |
| Other | 10 | 11% |
| Unknown | 21 | 24% |
Attention Score in Context
This research output has an Altmetric Attention Score of 13. 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 07 November 2020.
All research outputs
#2,728,231
of 24,717,692 outputs
Outputs from Methods in molecular biology
#499
of 13,876 outputs
Outputs of similar age
#60,532
of 453,054 outputs
Outputs of similar age from Methods in molecular biology
#27
of 1,486 outputs
Altmetric has tracked 24,717,692 research outputs across all sources so far. Compared to these this one has done well and is in the 88th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 13,876 research outputs from this source. They receive a mean Attention Score of 3.5. This one has done particularly well, scoring higher than 96% 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 453,054 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 86% of its contemporaries.
We're also able to compare this research output to 1,486 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 98% of its contemporaries.