CC+ specifications

Information


Unique identifier OMICS_07846
Name CC+
Restrictions to use None
Maintained Yes

Maintainer


  • person_outline Derek N. Woolfson

Publication for CC+

CC+ citations

 (2)
library_books

A Set of Computationally Designed Orthogonal Antiparallel Homodimers that Expands the Synthetic Coiled Coil Toolkit

2014
J Am Chem Soc
PMCID: 4277747
PMID: 25337788
DOI: 10.1021/ja507847t

[…] specific topology passed our orientation test set filters of ≤50% sequence identity and >27 residues (0 antiparallel trimers, 6 antiparallel tetramers, and 9 parallel tetramers in the August 18, 2010 CC+ database). For these reasons, we did not benchmark DFIRE* on the problem of predicting oligomerization state, and we did not attempt to use it for this purpose.We examined the structure-prediction […]

library_books

Hyperconjugation in Carbocations, a BLW Study with DFT approximation

2014
PMCID: 3982569
PMID: 24790968
DOI: 10.3389/fchem.2013.00037

[…] This implementation permits to re-optimize the geometry of the cations with the localization constraints. This feature was used to compute the geometrical effects of the localization: we obtained the CC+ bond lengthening, and its impact on the resonance energy (hence we obtained both VREs and AREs). However, the ARE will be of little use here. We rather discuss the vertical energies because they c […]

CC+ institution(s)
School of Chemistry, University of Bristol, Bristol and Department of Biochemistry, School of Medical Sciences, University Walk, Bristol, UK

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