DDEC specifications

Information


Unique identifier OMICS_32001
Name DDEC
Alternative name Dragon Database of Genes Implicated in Esophageal Cancer
Restrictions to use None
Database management system MySQL
Community driven No
Data access Browse
User data submission Not allowed
Maintained No

Maintainer


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Publication for Dragon Database of Genes Implicated in Esophageal Cancer

DDEC citation

library_books

Polarized Protein Specific Charges from Atoms in Molecule Electron Density Partitioning

2013
J Chem Theory Comput
PMCID: 3719162
PMID: 23894231
DOI: 10.1021/ct400279d

[…] e by up to 0.05 e in the more hydrophobic environment, while the −OH group, which is hydrogen-bonded to residue E102, becomes more strongly polarized.We have utilized the linear-scaling nature of our DDEC implementation to calculate DDEC charges of three proteins: ubiquitin, the SMN Tudor Domain, and hen egg lysozyme (PDB: 1UBQ, 1MHN, 6LYT). Initial structures were prepared by protonation using th […]

DDEC institution(s)
South African National Bioinformatics Institute, University of the Western Cape, Bellville, South Africa; Computational Bioscience Research Center (CBRC), Mathematical and Computer Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia
DDEC funding source(s)
Supported by a Scarce Skills Scholarship from the National Research Fund, South Africa; the National Research Foundation grant (61070); the DST/NRF Research Chair grant (64751); the National Research Foundation grant (62302); the National Bioinformatics Network grants and by the postdoctoral fellowship from the Claude Leon Foundation, South Africa.

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