The image represents a signal in a three-dimensional NMR spectrum being assigned to a specific nucleus of the protein backbone. The multi-platform software COMPASS, as presented by Niklasson et al., was developed for this purpose. COMPASS was designed to be suitable for resonance assignments of small-to-large proteins from complete or limited data sets. User friendliness was also a priority when designing the software. Advantages over competing software include increased user control of the entire backbone assignment process and instant feedback on assignments in the form of a graphical representation of the calculated secondary structure.
Image Credit: Markus Niklasson
Editorials
Ten Simple Rules for Organizing an Unconference
PLOS Computational Biology: published January 29, 2015 | https://doi.org/10.1371/journal.pcbi.1003905
Advancements and Challenges in Computational Biology
PLOS Computational Biology: published January 8, 2015 | https://doi.org/10.1371/journal.pcbi.1004053
Message from ISCB
ISCB Ebola Award for Important Future Research on the Computational Biology of Ebola Virus
PLOS Computational Biology: published January 29, 2015 | https://doi.org/10.1371/journal.pcbi.1004087
Perspective
150 Years of the Mass Action Law
PLOS Computational Biology: published January 8, 2015 | https://doi.org/10.1371/journal.pcbi.1004012
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Computation in Dynamically Bounded Asymmetric Systems
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PLOS Computational Biology: published January 22, 2015 | https://doi.org/10.1371/journal.pcbi.1004026
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PLOS Computational Biology: published January 15, 2015 | https://doi.org/10.1371/journal.pcbi.1004028
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