CRESSET-BMD FIELDALIGN V1.0.2
CRESSET-BMDFIELDALIGNV1.0.2英文正式版(醫學構建模型軟體)
破解說明:
Check/Crackforinstructions.
內容說明:
FieldAlign?是一個分子排列工具,用於醫學上構建模型.
英文說明:
FieldAlign?isasmartmolecularalignmenttoolformodellersandmedicinal
chemists.Givena3Dtemplatemolecule,itcanalignothermoleculesentered
in2Dtothattemplaterapidlyandinabiologically-relevantmanner.The
templatewouldcommonlybeanactivemolecule(orsetofmolecules)inits
bioactiveconformation.Thetemplatemoleculecouldbeobtainedfroma
FieldTemplater?alignmenthypothesis,aligandextractedfromtheactive
siteofaprotein,dockingorpharmacophorestudies.

FieldAlign?isidealforvisualinspectionofalignmentsofactivesfrom
differentseriesandidentifyingsharedfieldfeaturesorpharmacophores,
providingaqualitativeindicationoffieldSAR.FieldAlignisusefulat
theearlystageoflibrarydesignassmallvirtuallibrariescanbealigned
toanactivetemplateandthechemistcanselectthosescaffoldsandmonomers
whichtogetherbestmatchtheactivefieldtemplate.FieldAligncanalsobe
usedasanaidtoleadoptimisation:iterativelychangingmoleculesin
FieldAlignandobservingthealignmentsandfieldpatternscanprovide
powerfulinsightsintothedirectionthatyourchemistryshouldgo.Itis
alsoinvaluableforoverlayingseriesofmoleculespriorto3DQSAR
studieswhereagoodalignmentofthemoleculesiscriticalfor
obtainingmeaningfulmodels.