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Mendeley readers
| Title |
Missing Fragments: Detecting Cooperative Binding in Fragment-Based Drug Design
|
|---|---|
| Published in |
ACS Medicinal Chemistry Letters, February 2012
|
| DOI | 10.1021/ml300015u |
| Pubmed ID | |
| Authors |
Pramod C. Nair, Alpeshkumar K. Malde, Nyssa Drinkwater, Alan E. Mark |
| Abstract |
The aim of fragment-based drug design (FBDD) is to identify molecular fragments that bind to alternate subsites within a given binding pocket leading to cooperative binding when linked. In this study, the binding of fragments to human phenylethanolamine N-methyltransferase is used to illustrate how (a) current protocols may fail to detect fragments that bind cooperatively, (b) theoretical approaches can be used to validate potential hits, and (c) apparent false positives obtained when screening against cocktails of fragments may in fact indicate promising leads. |
Mendeley readers
The data shown below were compiled from readership statistics for 40 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Japan | 1 | 3% |
| United Kingdom | 1 | 3% |
| Czechia | 1 | 3% |
| Unknown | 37 | 93% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 15 | 38% |
| Student > Ph. D. Student | 10 | 25% |
| Student > Doctoral Student | 4 | 10% |
| Student > Master | 4 | 10% |
| Lecturer > Senior Lecturer | 1 | 3% |
| Other | 3 | 8% |
| Unknown | 3 | 8% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 22 | 55% |
| Biochemistry, Genetics and Molecular Biology | 6 | 15% |
| Agricultural and Biological Sciences | 3 | 8% |
| Computer Science | 1 | 3% |
| Pharmacology, Toxicology and Pharmaceutical Science | 1 | 3% |
| Other | 2 | 5% |
| Unknown | 5 | 13% |