Assessment of intramolecular contact predictions for CASP7

2007 ◽  
Vol 69 (S8) ◽  
pp. 152-158 ◽  
Author(s):  
José M. G. Izarzugaza ◽  
Osvaldo Graña ◽  
Michael L. Tress ◽  
Alfonso Valencia ◽  
Neil D. Clarke
Keyword(s):  
Intramolecular Contact ◽  
Contact Predictions

scholarly journals Crystal structure of chlorido[trans-1-(diphenylphosphanethioyl-κS)-2-(diphenylphosphanoyl)ethene]gold(I) dichloromethane hemisolvate

2016 ◽  
Vol 72 (7) ◽  
pp. 1006-1008
Author(s):  
Christina Taouss ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Title Compound ◽  
Intramolecular Contact ◽  
Linear Coordination

The title compound, [AuCl(C26H22OP2S)]·0.5CH2Cl2, crystallizes with atrans-O—P...P—S geometry of the groups either side of the C=C double bond, which prevents any intramolecular contact between the Au and O atoms. The AuIatom exhibits a nearly linear coordination [Cl—Au—S = 177.55 (4)°]. The molecules associate to form broad ribbons parallel to thecaxisviatwo C—H...O, one C—H...Cl(Au) and one Au...Cl interaction.

Use of spatial, frequency and curvature attributes for reservoir, fluid and contact predictions

2008 ◽  
Author(s):  
Willem Flierman ◽  
Jan Gabe van der Weide ◽  
Andries Wever ◽  
Friso Brouwer ◽  
Arnaud Huck
Keyword(s):  
Spatial Frequency ◽  
Reservoir Fluid ◽  
Contact Predictions

scholarly journals Assessment of contact predictions in CASP12: Co-evolution and deep learning coming of age

2017 ◽  
Vol 86 ◽  
pp. 51-66 ◽  
Author(s):  
Joerg Schaarschmidt ◽  
Bohdan Monastyrskyy ◽  
Andriy Kryshtafovych ◽  
Alexandre M.J.J. Bonvin
Keyword(s):  
Deep Learning ◽  
Coming Of Age ◽  
Contact Predictions

scholarly journals Measurement of Submicrosecond Intramolecular Contact Formation in Peptides at the Single-Molecule Level

2003 ◽  
Vol 125 (18) ◽  
pp. 5324-5330 ◽  
Author(s):  
Hannes Neuweiler ◽  
Andreas Schulz ◽  
Martin Böhmer ◽  
Jörg Enderlein ◽  
Markus Sauer
Keyword(s):  
Single Molecule ◽  
Intramolecular Contact ◽  
Single Molecule Level ◽  
Contact Formation

scholarly journals Collapse Of Rat And Human Amylin From Nanosecond-resolved Intramolecular Contact Formation

2009 ◽  
Vol 96 (3) ◽  
pp. 319a
Author(s):  
Sara M. Vaiana ◽  
Robert B. Best ◽  
Wai-Ming Yau ◽  
William A. Eaton ◽  
James Hofrichter
Keyword(s):  
Intramolecular Contact ◽  
Contact Formation ◽  
Human Amylin

scholarly journals Large-scale structure prediction by improved contact predictions and model quality assessment

2017 ◽  
Author(s):  
Mirco Michel ◽  
David Menéndez Hurtado ◽  
Karolis Uziela ◽  
Arne Elofsson
Keyword(s):  
Structure Prediction ◽  
Large Scale ◽  
Supplementary Information ◽  
Model Quality ◽  
Contact Maps ◽  
Folding Algorithm ◽  
Unknown Structure ◽  
Supplementary Material ◽  
Direct Coupling Analysis ◽  
Contact Predictions

AbstractMotivationAccurate contact predictions can be used for predicting the structure of proteins. Until recently these methods were limited to very big protein families, decreasing their utility. However, recent progress by combining direct coupling analysis with machine learning methods has made it possible to predict accurate contact maps for smaller families. To what extent these predictions can be used to produce accurate models of the families is not known.ResultsWe present the PconsFold2 pipeline that uses contact predictions from PconsC3, the CONFOLD folding algorithm and model quality estimations to predict the structure of a protein. We show that the model quality estimation significantly increases the number of models that reliably can be identified. Finally, we apply PconsFold2 to 6379 Pfam families of unknown structure and find that PconsFold2 can, with an estimated 90% specificity, predict the structure of up to 558 Pfam families of unknown structure. Out of these 415 have not been reported before.AvailabilityDatasets as well as models of all the 558 Pfam families are available at http://c3.pcons.net/. All programs used here are freely [email protected] informationNo supplementary data

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