Virtual screening : development of a novel structure-based method
| dc.contributor.author | Virtanen, Salla | |
| dc.date.accessioned | 2013-08-26T10:13:12Z | |
| dc.date.available | 2013-08-26T10:13:12Z | |
| dc.date.issued | 2013 | |
| dc.identifier.isbn | 978-951-39-5341-6 | |
| dc.identifier.other | oai:jykdok.linneanet.fi:1278225 | |
| dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/42015 | |
| dc.format.extent | 1 verkkoaineisto (51 sivua) | |
| dc.language.iso | eng | |
| dc.publisher | University of Jyväskylä | |
| dc.relation.ispartofseries | Jyväskylä studies in biological and environmental science | |
| dc.relation.haspart | <b>Artikkeli I:</b> Virtanen S.I. & Pentikäinen O.T. 2010. Efficient virtual screening using multiple protein structures described as negative images of the ligandbinding site. <i>Journal of Chemical Information and Modeling 50: 1005–1011. </i><a href="http://dx.doi.org/10.1021/ci100121c"target="_blank"> DOI: 10.1021/ci100121c</a> | |
| dc.relation.haspart | <b>Artikkeli II:</b> 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. <i>Journal of Chemical Information and Modeling 51: 1353–1363. </i><a href=" http://dx.doi.org/ 10.1021/ci1004527 "target="_blank"> DOI: 10.1021/ci1004527 </a> | |
| dc.relation.haspart | <b>Artikkeli III:</b> Virtanen S.I., Niinivehmas S.P., Pentikäinen O.T. 2015. Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening. <i> 62, (November) 303–318 </i> <a href=" http://dx.doi.org/10.1016/j.jmgm.2015.10.012"target="_blank"> DOI: 10.1016/j.jmgm.2015.10.012 </a> | |
| dc.rights | In Copyright | |
| dc.subject.other | virtuaaliseulonta | |
| dc.subject.other | lääkeaihiot | |
| dc.subject.other | lääkeainekehitys | |
| dc.subject.other | rakennepohjaiset menetelmät | |
| dc.subject.other | laskennalliset menetelmät | |
| dc.subject.other | ligandipohjaiset menetelmät | |
| dc.subject.other | molekyylidynamiikka | |
| dc.subject.other | molekyylimekaniikka | |
| dc.subject.other | computational drug discovery | |
| dc.subject.other | binding free energy | |
| dc.subject.other | negative image-based screening | |
| dc.subject.other | molecular dynamics | |
| dc.subject.other | virtual screening | |
| dc.title | Virtual screening : development of a novel structure-based method | |
| dc.type | Diss. | |
| dc.identifier.urn | URN:ISBN:978-951-39-5341-6 | |
| dc.type.dcmitype | Text | en |
| dc.type.ontasot | Väitöskirja | fi |
| dc.type.ontasot | Doctoral dissertation | en |
| dc.contributor.tiedekunta | Matemaattis-luonnontieteellinen tiedekunta | fi |
| dc.contributor.tiedekunta | Faculty of Mathematics and Science | en |
| dc.contributor.yliopisto | University of Jyväskylä | en |
| dc.contributor.yliopisto | Jyväskylän yliopisto | fi |
| dc.contributor.oppiaine | Solu- ja molekyylibiologia | fi |
| dc.relation.issn | 1456-9701 | |
| dc.relation.numberinseries | 264 | |
| dc.rights.accesslevel | openAccess | |
| dc.subject.yso | lääkesuunnittelu | |
| dc.subject.yso | ligandit | |
| dc.rights.url | https://rightsstatements.org/page/InC/1.0/ |
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