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Application

Discovery Studio 1.0 Materials Studio 0.8498694516971279 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06232159847764034 Amorphous Cell 0.2226450999048525 Blends 0.005708848715509039 CASTEP 0.42435775451950525 CDOCKER 0.17269267364414842 CHARMm 0.2621313035204567 COMPASS 0.34871550903901044 COMPASS III 0.021408182683158895 COSMObase 4.757373929590866E-4 COSMOconf 4.757373929590866E-4 COSMOmic 0.0 COSMOperm 4.757373929590866E-4 COSMOplex 0.0 COSMOquick 4.757373929590866E-4 COSMOtherm 0.06137012369172217 Catalyst 0.19362511893434825 Classical Simulations 0.9043767840152236 Conformers 0.004757373929590866 Crystallization 0.07040913415794481 DFTB Plus 0.004757373929590866 DMol3 0.21455756422454805 DPD 0.0028544243577545195 Discover 0.008563273073263558 Forcite 0.4519505233111323 GULP 0.03377735490009515 LUDI 0.004757373929590866 LibDock 0.06898192197906755 LigandFit 0.007136060894386299 MCSS 0.0 MODELER 0.07088487155090391 MesoDyn 0.0019029495718363464 Mesocite 0.006660323501427212 Mesoscale 0.011417697431018078 Morphology 0.015223596574690771 ONETEP 9.514747859181732E-4 Polymorph 0.0014272121788772598 QSAR 4.757373929590866E-4 Quantum Mechanics 0.6246431969552807 Reflex 0.05233111322549953 Reflex Plus 4.757373929590866E-4 Reflex QPA 0.0 Semi-empirical 0.007611798287345386 Sorption 0.035204567078972404 TURBOMOLE 4.757373929590866E-4 VAMP 0.002378686964795433 Visualization 1.0 X-Cell 0.0014272121788772598 ZDOCK 0.029019980970504282

Year

2023 0.0

Keywords

target 1.0 visualization 0.2510304219823356 docking 0.24219823356231598 potential 0.21570166830225712 analysis 0.14484789008832188 between 0.1311089303238469 novel 0.08400392541707556 binding 0.0663395485770363 activity 0.058684985279685964 energy 0.053974484789008834 interaction 0.04043179587831207 synthesized 0.036702649656526004 cell 0.03316977428851815 protein 0.0310107948969578 experimental 0.02747791952894995 synthesis 0.008635917566241413 compound 0.0084396467124632 chemical 0.008243375858684985 mechanism 0.007654563297350344 promising 0.0070657507360157015 drug 0.003140333660451423 stability 0.0013738959764474975 well 0.0013738959764474975 silico 0.0011776251226692837 vitro 0.0
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