Prediction of pKa values using the PM6 semiempirical method
Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Standard
Prediction of pKa values using the PM6 semiempirical method. / Kromann, Jimmy Charnley; Larsen, Frej; Moustafa, Hadeel ; Jensen, Jan Halborg.
I: PeerJ, Bind 4, e2335, 2016.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
Harvard
Kromann, JC, Larsen, F, Moustafa, H & Jensen, JH 2016, 'Prediction of pKa values using the PM6 semiempirical method', PeerJ, bind 4, e2335. https://doi.org/10.7717/peerj.2335
APA
Kromann, J. C., Larsen, F., Moustafa, H., & Jensen, J. H. (2016). Prediction of pKa values using the PM6 semiempirical method. PeerJ, 4, [e2335]. https://doi.org/10.7717/peerj.2335
Vancouver
Kromann JC, Larsen F, Moustafa H, Jensen JH. Prediction of pKa values using the PM6 semiempirical method. PeerJ. 2016;4. e2335. https://doi.org/10.7717/peerj.2335
Author
Bibtex
@article{72a6530509124d69b3a7958c4ee53216,
title = "Prediction of pKa values using the PM6 semiempirical method",
keywords = "Electronic structure, pKa prediction, Semiempirical methods, Drug design",
author = "Kromann, {Jimmy Charnley} and Frej Larsen and Hadeel Moustafa and Jensen, {Jan Halborg}",
year = "2016",
doi = "10.7717/peerj.2335",
language = "English",
volume = "4",
journal = "PeerJ",
issn = "2167-8359",
publisher = "PeerJ",
}
RIS
TY - JOUR
T1 - Prediction of pKa values using the PM6 semiempirical method
AU - Kromann, Jimmy Charnley
AU - Larsen, Frej
AU - Moustafa, Hadeel
AU - Jensen, Jan Halborg
PY - 2016
Y1 - 2016
KW - Electronic structure
KW - pKa prediction
KW - Semiempirical methods
KW - Drug design
U2 - 10.7717/peerj.2335
DO - 10.7717/peerj.2335
M3 - Journal article
C2 - 27602298
VL - 4
JO - PeerJ
JF - PeerJ
SN - 2167-8359
M1 - e2335
ER -
ID: 166012041