Diverse Fragment Clustering and Water Exclusion Identify Protein Hot Spots

2011 ◽  
Vol 133 (28) ◽  
pp. 10740-10743 ◽  
Author(s):  
John L. Kulp ◽  
John L. Kulp ◽  
David L. Pompliano ◽  
Frank Guarnieri
Keyword(s):  
2011 ◽  
Vol 14 (7-8) ◽  
pp. 360-365 ◽  
Author(s):  
Gerald F. Audette ◽  
Stephanie Lombardo ◽  
Jonathan Dudzik ◽  
Thomas M. Arruda ◽  
Michal Kolinski ◽  
...  
Keyword(s):  

2012 ◽  
Vol 415 (2) ◽  
pp. 419-428 ◽  
Author(s):  
Yosef Y. Kuttner ◽  
Stanislav Engel
Keyword(s):  

2020 ◽  
Vol 21 (19) ◽  
pp. 7281
Author(s):  
A. J. Preto ◽  
Irina S. Moreira

Protein Hot-Spots (HS) are experimentally determined amino acids, key to small ligand binding and tend to be structural landmarks on protein–protein interactions. As such, they were extensively approached by structure-based Machine Learning (ML) prediction methods. However, the availability of a much larger array of protein sequences in comparison to determined tree-dimensional structures indicates that a sequence-based HS predictor has the potential to be more useful for the scientific community. Herein, we present SPOTONE, a new ML predictor able to accurately classify protein HS via sequence-only features. This algorithm shows accuracy, AUROC, precision, recall and F1-score of 0.82, 0.83, 0.91, 0.82 and 0.85, respectively, on an independent testing set. The algorithm is deployed within a free-to-use webserver, only requiring the user to submit a FASTA file with one or more protein sequences.


Author(s):  
G.K.W. Balkau ◽  
E. Bez ◽  
J.L. Farrant

The earliest account of the contamination of electron microscope specimens by the deposition of carbonaceous material during electron irradiation was published in 1947 by Watson who was then working in Canada. It was soon established that this carbonaceous material is formed from organic vapours, and it is now recognized that the principal source is the oil-sealed rotary pumps which provide the backing vacuum. It has been shown that the organic vapours consist of low molecular weight fragments of oil molecules which have been degraded at hot spots produced by friction between the vanes and the surfaces on which they slide. As satisfactory oil-free pumps are unavailable, it is standard electron microscope practice to reduce the partial pressure of organic vapours in the microscope in the vicinity of the specimen by using liquid-nitrogen cooled anti-contamination devices. Traps of this type are sufficient to reduce the contamination rate to about 0.1 Å per min, which is tolerable for many investigations.


Nature ◽  
2005 ◽  
Author(s):  
Deirdre Lockwood
Keyword(s):  

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