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Application

Discovery Studio 1.0 Materials Studio 0.36158357771260996 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03222836095764273 Amorphous Cell 0.11648250460405156 Blends 0.0013812154696132596 CASTEP 0.17955801104972377 CDOCKER 0.2048802946593002 CHARMm 0.2550644567219153 COMPASS 0.179097605893186 COMPASS III 0.0055248618784530384 COSMObase 0.0 COSMOconf 4.6040515653775324E-4 COSMOmic 0.0 COSMOperm 9.208103130755065E-4 COSMOquick 4.6040515653775324E-4 COSMOtherm 0.03314917127071823 Catalyst 0.1712707182320442 Classical Simulations 0.5773480662983426 Conformers 0.0 Crystallization 0.02992633517495396 DFTB Plus 0.0032228360957642726 DMol3 0.08701657458563536 DPD 0.0027624309392265192 Discover 0.008747697974217311 Forcite 0.21132596685082872 GULP 0.011970534069981584 LUDI 0.008747697974217311 LibDock 0.08287292817679558 LigandFit 0.009668508287292817 MCSS 0.0027624309392265192 MODELER 0.10543278084714548 MesoDyn 0.0 Mesocite 0.004604051565377533 Mesoscale 0.006445672191528545 Morphology 0.006906077348066298 ONETEP 9.208103130755065E-4 Polymorph 4.6040515653775324E-4 QSAR 0.0013812154696132596 Quantum Mechanics 0.2610497237569061 Reflex 0.02117863720073665 Reflex Plus 0.0013812154696132596 Semi-empirical 0.004604051565377533 Sorption 0.01565377532228361 Synthia 0.0 TURBOMOLE 0.0 VAMP 9.208103130755065E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.040976058931860036

Year

2022 0.0

Keywords

target 1.0 visualization 0.36857490864799025 docking 0.34226552984165654 potential 0.22752740560292326 analysis 0.1464068209500609 binding 0.12496954933008526 between 0.11278928136419002 activity 0.10499390986601705 novel 0.10475030450669914 protein 0.08355663824604141 interaction 0.06455542021924482 synthesis 0.047503045066991476 drug 0.04141291108404385 vitro 0.040194884287454324 silico 0.038733252131546894 synthesized 0.03751522533495737 compound 0.03264311814859927 cell 0.03142509135200974 inhibition 0.02533495736906212 treatment 0.017783191230207065 well 0.01412911084043849 mechanism 0.011936662606577345 experimental 0.003166869671132765 energy 0.002679658952496955 design 0.0
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