TY - JOUR
T1 - Assessment of chemical-crosslink-assisted protein structure modeling in CASP13
AU - Fajardo, J. Eduardo
AU - Shrestha, Rojan
AU - Gil, Nelson
AU - Belsom, Adam
AU - Crivelli, Silvia N.
AU - Czaplewski, Cezary
AU - Fidelis, Krzysztof
AU - Grudinin, Sergei
AU - Karasikov, Mikhail
AU - Karczyńska, Agnieszka S.
AU - Kryshtafovych, Andriy
AU - Leitner, Alexander
AU - Liwo, Adam
AU - Lubecka, Emilia A.
AU - Monastyrskyy, Bohdan
AU - Pagès, Guillaume
AU - Rappsilber, Juri
AU - Sieradzan, Adam K.
AU - Sikorska, Celina
AU - Trabjerg, Esben
AU - Fiser, Andras
PY - 2019/9/30
Y1 - 2019/9/30
N2 - With the advance of experimental procedures obtaining chemical crosslinking information is becoming a fast and routine practice. Information on crosslinks can greatly enhance the accuracy of protein structure modeling. Here, we review the current state of the art in modeling protein structures with the assistance of experimentally determined chemical crosslinks within the framework of the 13th meeting of Critical Assessment of Structure Prediction approaches. This largest-to-date blind assessment reveals benefits of using data assistance in difficult to model protein structure prediction cases. However, in a broader context, it also suggests that with the unprecedented advance in accuracy to predict contacts in recent years, experimental crosslinks will be useful only if their specificity and accuracy further improved and they are better integrated into computational workflows.
AB - With the advance of experimental procedures obtaining chemical crosslinking information is becoming a fast and routine practice. Information on crosslinks can greatly enhance the accuracy of protein structure modeling. Here, we review the current state of the art in modeling protein structures with the assistance of experimentally determined chemical crosslinks within the framework of the 13th meeting of Critical Assessment of Structure Prediction approaches. This largest-to-date blind assessment reveals benefits of using data assistance in difficult to model protein structure prediction cases. However, in a broader context, it also suggests that with the unprecedented advance in accuracy to predict contacts in recent years, experimental crosslinks will be useful only if their specificity and accuracy further improved and they are better integrated into computational workflows.
KW - CASP13
KW - chemical crosslinking/mass spectrometry
KW - chemical-crosslink-assisted protein structure modeling
U2 - 10.1002/prot.25816
DO - 10.1002/prot.25816
M3 - Article
C2 - 31569265
AN - SCOPUS:85073985095
SN - 0887-3585
VL - 87
SP - 1283
EP - 1297
JO - Proteins: Structure, Function, and Bioinformatics
JF - Proteins: Structure, Function, and Bioinformatics
IS - 12
ER -