Additional file 4 of Optimized SQE atomic charges for peptides accessible via a web application

Schindler, Ondřej;Raček, Tomáš;Maršavelski, Aleksandra;Koča, Jaroslav;Berka, Karel;Svobodová, Radka

Description

Additional file 4. QM charges.Files with QM partial atomic charges for molecules from all datasets.

Citations (0)

Mentions (0)

Metrics

Dataset Index

0.5

FAIR Score

85%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

figshare

License

Creative Commons Attribution 4.0 International

Assigned Domain

Subfield

Atomic and Molecular Physics, and Optics

Field

Physics and Astronomy

Domain

Physical Sciences

Confidence Score

42%

Source

Scholar Data Model

Keywords

Biophysics29999 Physical Sciences not elsewhere classifiedFOS: Physical sciencesMolecular BiologyPharmacologyBiotechnology39999 Chemical Sciences not elsewhere classifiedFOS: Chemical sciences69999 Biological Sciences not elsewhere classifiedFOS: Biological sciences80699 Information Systems not elsewhere classifiedFOS: Computer and information sciences19999 Mathematical Sciences not elsewhere classifiedFOS: MathematicsCancer110309 Infectious DiseasesFOS: Health sciencesComputational Biology

Normalization Factors

FT

53.85

CTw

1.00

MTw

1.00