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FrAG-PELE: novel fragment-based growing tool for hit-to-lead in early drug discovery

dc.contributor.authorPérez López, Carles
dc.contributor.authorGuallar, Victor
dc.date.accessioned2018-11-23T09:33:29Z
dc.date.available2018-11-23T09:33:29Z
dc.date.issued2018-04-24
dc.identifier.citationPérez López, C.; Guallar, V. FrAG-PELE: Novel Fragment-based Growing Tool for hit-to-lead in Early Drug Discovery. A: BSC Severo Ochoa International Doctoral Symposium (5th: 2018: Barcelona). "Book of abstracts". Barcelona: Barcelona Supercomputing Center, 2018, p. 48-49.
dc.identifier.urihttp://hdl.handle.net/2117/124967
dc.format.extent2 p.
dc.language.isoeng
dc.publisherBarcelona Supercomputing Center
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Informàtica::Arquitectura de computadors
dc.subjectÀrees temàtiques de la UPC::Enginyeria biomèdica
dc.subject.lcshHigh performance computing
dc.subject.lcshDrugs -- Design
dc.subject.otherDrug Discovery
dc.subject.otherFragment-based Growing
dc.subject.otherScoring
dc.subject.otherHit-to-lead
dc.subject.otherFree Energy
dc.subject.otherPK properties
dc.subject.otherADMET
dc.subject.otherLigand
dc.titleFrAG-PELE: novel fragment-based growing tool for hit-to-lead in early drug discovery
dc.typeConference report
dc.subject.lemacCàlcul intensiu (Informàtica)
dc.subject.lemacMedicaments -- Disseny
dc.rights.accessOpen Access
local.citation.contributorBSC Severo Ochoa International Doctoral Symposium (5th: 2018: Barcelona)
local.citation.pubplaceBarcelona
local.citation.publicationNameBook of abstracts
local.citation.startingPage48
local.citation.endingPage49


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