Computational studies of biomolecular screening and interactions
Main Author
Format
Theses
Doctoral thesis
Published
2015
Series
Subjects
ISBN
978-951-39-6382-8
Publisher
University of Jyväskylä
The permanent address of the publication
https://urn.fi/URN:ISBN:978-951-39-6382-8Use this for linking
ISSN
1456-9701
Language
English
Published in
Jyväskylä studies in biological and environmental science
Contains publications
- Article I: Niinivehmas S.P.*, Virtanen S.I.*, Lehtonen J.V., Postila P.A. & Pentikäinen O.T. 2011. Comparison of virtual high-throughput screening methods for the identification of phosphodiesterase-5 inhibitors. Journal of Chemical Information and Modeling 51: 1353-1363. DOI: 10.1021/ci1004527
- Article II: Niinivehmas S.P.*, Manivannan E.*, Rauhamäki S., Huuskonen J. & Pentikäinen O.T. 2016. Identification of estrogen receptor α ligands with virtual screening techniques. Journal of Molecular Graphics and Modelling 64, March, 30–39 DOI: 10.1016/j.jmgm.2015.12.006
- Article III: Niinivehmas S.P., Salokas K., Lätti S., Raunio H. & Pentikäinen O.T. 2015. Ultrafast protein structure-based virtual screening with Panther. Journal of Computer-Aided Molecular Design 10: 989-1006. DOI: 10.1007/s10822-015-9870-3
- Article IV: Virtanen S.*, Niinivehmas S.P.* & Pentikäinen O.T. 2015. Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening. Journal of Molecular Graphics and Modelling 62 (November) 203-318. DOI:10.1016/j.jmgm.2015.10.012 .
- Article V: Niinivehmas S.P. & Pentikäinen O.T. 2015. Reliability of virtual screening methods in prediction of PDE4B-inhibitor activity. Current Drug Discovery Technologies 12: 117-26. DOI: 10.2174/1570163812666150702123018
- Article VI: Sergelius C., Niinivehmas S., Maula T., Kurita M., Yamaguchi S., Yamamoto T., Katsumura S., Pentikäinen O.T. & Slotte J.P. 2012. Structure-activity relationship of sphingomyelin analogs with sphingomyelinase from Bacillus cereus. Biochimica et Biophysica Acta 1818: 474-480. DOI: 10.1016/j.bbamem.2011.10.013
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