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Application

Discovery Studio 1.0 Materials Studio 0.9631742738589212 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05745375408052231 Amorphous Cell 0.27725788900979326 Blends 0.002393906420021763 CASTEP 0.32883569096844395 CDOCKER 0.17388465723612623 CHARMm 0.27529923830250275 COMPASS 0.33884657236126225 COMPASS III 0.10402611534276388 COSMObase 0.0045701849836779105 COSMOconf 0.005223068552774755 COSMOmic 0.0 COSMOperm 4.352557127312296E-4 COSMOplex 2.176278563656148E-4 COSMOquick 0.001088139281828074 COSMOtherm 0.06398258977149075 Catalyst 0.08443960826985854 Classical Simulations 1.0 Conformers 4.352557127312296E-4 Crystallization 0.07138193688792166 DFTB Plus 0.004352557127312296 DMol3 0.14951033732317737 DPD 0.002393906420021763 Discover 0.003482045701849837 Forcite 0.5196953210010882 GULP 0.018280739934711642 Kinetix 2.176278563656148E-4 LUDI 0.003482045701849837 LibDock 0.07029379760609358 LigandFit 0.003917301414581066 MODELER 0.2598476605005441 MesoDyn 0.0 Mesocite 0.003046789989118607 Mesoscale 0.005223068552774755 Modules 0.0 Morphology 0.016539717083786723 ONETEP 0.001088139281828074 Polymorph 0.0026115342763873774 QMERA 2.176278563656148E-4 QSAR 4.352557127312296E-4 Quantum Mechanics 0.46985854189336235 Reflex 0.051142546245919476 Reflex Plus 8.705114254624592E-4 Semi-empirical 0.0056583242655059846 Sorption 0.05832426550598477 Synthia 0.001088139281828074 TURBOMOLE 2.176278563656148E-4 VAMP 6.528835690968443E-4 Visualization 0.7297062023939064 X-Cell 0.001088139281828074 ZDOCK 0.02894450489662677

Year

2023 1.717327837884252E-4 2024 0.42881676111969774 2025 1.0 2026 0.6718186501803194 2027 0.0

Keywords

target 1.0 potential 0.3121665446176378 docking 0.23161418558426614 analysis 0.221362067161837 visualization 0.1747044669944555 between 0.14447117899361858 novel 0.09959200753216864 promising 0.08787530076367821 binding 0.07804163615440946 energy 0.07448477874254629 cell 0.062349618160895494 activity 0.053771314991107856 stability 0.04174076786274715 performance 0.037242389371273145 including 0.0228057328172403 synthesized 0.021759598284339366 development 0.01945810231195732 effective 0.018725808138926665 experimental 0.01412281619416257 mechanism 0.01380897583429229 interaction 0.011089026048749869 enhanced 0.010670572235589497 strong 0.009310597342818286 protein 0.004916832304634376 synthesis 0.0
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