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README

ArShift is a structure-based predictor of proton chemical shifts of aromatic side-chains in proteins. The code is for both the stand-alone and server implementations of ArShift.

Please cite the following paper when using the code:

Sahakyan A.B., Vranken W.F., Cavalli A., Vendruscolo M. “Using Side-Chain Aromatic Proton Chemical Shifts for a Quantitative Analysis of Protein Structures”, Angew. Chem. Int. Ed., 50, 9620-9623, 2011.
http://dx.doi.org/10.1002/anie.201101641 

If using the structure validation report and Qcs scores of ArShift, also cite:

Sahakyan A.B., Cavalli A., Vranken W.F., Vendruscolo M. “Protein Structure Validation Using Side-Chain Chemical Shifts”, J. Phys. Chem. B, 116, 4754-4759, 2012.
http://dx.doi.org/10.1021/jp2122054 




# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
# License: You may redistribute this source code (or its components) and/or   #
#   modify/translate it under the terms of the GNU General Public License     #
#   as published by the Free Software Foundation; version 2 of the License    #
#   (GPL2). You can find the details of GPL2 in the following link:           #
#   https://www.gnu.org/licenses/gpl-2.0.html                                 #
#                                                                             #
# Aleksandr B. Sahakyan (C) 2009+ (aleksahak[at]cantab.net).                  #
# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 

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Structure-based predictor of 1H chemical shifts of aromatic side-chains in proteins.

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