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.
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Metrics Over Time
Publication Details
DOI
Publisher
figshare
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