Virtual screening : development of a novel structure-based method

Virtanen, Salla

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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Virtual screening : development of a novel structure-based method

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