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Application

Discovery Studio 1.0 Materials Studio 0.171242774566474 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.016536964980544747 Amorphous Cell 0.026913099870298315 Blends 0.0 CASTEP 0.0907911802853437 CDOCKER 0.261348897535668 CHARMm 0.3148508430609598 COMPASS 0.04896238651102464 COMPASS III 0.01232166018158236 COSMObase 9.727626459143969E-4 COSMOconf 0.001621271076523995 COSMOperm 0.0 COSMOtherm 0.017833981841763942 Catalyst 0.16342412451361868 Classical Simulations 0.42412451361867703 Conformers 3.2425421530479895E-4 Crystallization 0.021076523994811934 DFTB Plus 3.2425421530479895E-4 DMol3 0.10732814526588845 DPD 0.0 Discover 6.485084306095979E-4 Forcite 0.07490272373540856 GULP 0.0029182879377431907 LUDI 0.0035667963683527885 LibDock 0.09760051880674449 LigandFit 0.011997405966277562 MCSS 3.2425421530479895E-4 MODELER 0.24189364461738003 MesoDyn 0.0 Mesocite 3.2425421530479895E-4 Mesoscale 6.485084306095979E-4 Morphology 0.0019455252918287938 Polymorph 0.0 QMERA 6.485084306095979E-4 QSAR 6.485084306095979E-4 Quantum Mechanics 0.19390402075226978 Reflex 0.01880674448767834 Semi-empirical 0.001621271076523995 Sorption 0.0048638132295719845 VAMP 0.0 Visualization 1.0 ZDOCK 0.0304798962386511

Year

2019 0.0 2020 0.16108452950558214 2021 0.23657628920786816 2022 0.4354066985645933 2023 0.7410951621477937 2024 1.0 2025 0.8032961190855927 2026 0.11004784688995216

Keywords

activity 1.0 target 0.9699329831552255 docking 0.4647708748415142 potential 0.3595363158848035 visualization 0.3548270240898388 analysis 0.20938235826842963 novel 0.15921028799130593 binding 0.1564933888788263 vitro 0.12226046006158305 compound 0.09635935518927731 synthesis 0.08911429088933165 inhibition 0.08748415142184388 synthesized 0.08404274587936968 protein 0.08005796051439956 silico 0.07045825031697156 promising 0.06955261727947835 between 0.05524361528708567 active 0.0396667270422025 treatment 0.03622532149972831 potent 0.03513856185473646 drug 0.02553885165730846 development 0.013222242347400832 interaction 0.010867596449918493 effective 7.245064299945662E-4 enzyme 0.0
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