EOM on short peptides

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), addition of missing fragments (BUNCH, CORAL), analysis of flexible systems (EOM/RANCH & GAJOE), flexible refinement of high-resolution models (SREFLEX)
Post Reply
Message
Author
SaxsMax
Administrator
Posts: 356
Joined: 2007.08.03 19:16

EOM on short peptides

#1 Post by SaxsMax » 2021.04.26 10:27

Warning: When running EOM on short peptides it is recommended to use fixed size ensemble
with 50 curves per ensemble and disallow repetitions. For details see
A. Sagar, C.M. Jeffries, M.V. Petoukhov, D.I. Svergun and P. Bernado (2021)
Comment on the Optimal Parameters to Derive Intrinsically Disordered Protein Conformational
Ensembles from Small-Angle X-ray Scattering Data Using the Ensemble Optimization Method
J. Chem. Theory Comput. 17(4), 2014-2021 https://doi.org/10.1021/acs.jctc.1c00014

Post Reply