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Application

Discovery Studio 1.0 Materials Studio 0.03315217391304348 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0030042918454935624 Amorphous Cell 0.009871244635193134 CASTEP 0.014592274678111588 CDOCKER 0.17510729613733905 CHARMm 0.2729613733905579 COMPASS 0.02017167381974249 COMPASS III 0.0030042918454935624 COSMOtherm 0.005150214592274678 Catalyst 0.19399141630901287 Classical Simulations 0.30815450643776826 Conformers 0.0 Crystallization 0.002575107296137339 DFTB Plus 0.0 DMol3 0.006437768240343348 Discover 8.583690987124463E-4 Forcite 0.02145922746781116 GULP 0.0012875536480686696 LUDI 0.004721030042918455 LibDock 0.07682403433476395 LigandFit 0.006437768240343348 MCSS 0.0 MODELER 0.07296137339055794 Morphology 4.2918454935622315E-4 Quantum Mechanics 0.021030042918454936 Reflex 0.0017167381974248926 Semi-empirical 0.0 Sorption 0.002145922746781116 Visualization 1.0 ZDOCK 0.0296137339055794

Year

2023 0.0

Keywords

target 1.0 docking 0.5557620817843866 visualization 0.5520446096654275 potential 0.3553283767038414 analysis 0.23574969021065675 binding 0.2053903345724907 activity 0.17224287484510534 protein 0.17131350681536556 novel 0.1567534076827757 vitro 0.11586121437422553 silico 0.11400247831474597 drug 0.10439900867410161 compound 0.09758364312267657 interaction 0.08952912019826519 synthesis 0.08085501858736059 between 0.080545229244114 synthesized 0.07032218091697645 inhibition 0.0684634448574969 treatment 0.0604089219330855 development 0.02973977695167286 promising 0.020755885997521685 potent 0.01858736059479554 active 0.012081784386617101 therapeutic 0.01084262701363073 mechanism 0.0
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