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Application

Discovery Studio 1.0 Materials Studio 0.2562266500622665 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.12482662968099861 Amorphous Cell 0.0769764216366158 Blends 0.0 CASTEP 0.027739251040221916 CDOCKER 0.40984743411927876 CHARMm 0.5319001386962552 COMPASS 0.34119278779472956 COMPASS III 0.0076282940360610264 COSMOperm 0.0 COSMOtherm 0.013176144244105409 Catalyst 0.5013869625520111 Classical Simulations 1.0 Conformers 0.0034674063800277394 Crystallization 0.011789181692094313 DFTB Plus 0.0034674063800277394 DMol3 0.13106796116504854 DPD 0.0 Discover 0.036061026352288486 Forcite 0.27947295423023577 GULP 0.0034674063800277394 LUDI 0.023578363384188627 LibDock 0.11234396671289876 LigandFit 0.0957004160887656 MCSS 0.0034674063800277394 MODELER 0.4486823855755895 Mesocite 0.0 Mesoscale 6.934812760055479E-4 Morphology 0.0034674063800277394 ONETEP 6.934812760055479E-4 QSAR 0.0062413314840499305 Quantum Mechanics 0.15880721220527047 Reflex 0.006934812760055479 Reflex Plus 0.0 Semi-empirical 0.018030513176144243 Sorption 0.0048543689320388345 VAMP 0.013869625520110958 Visualization 0.920249653259362 X-Cell 0.0013869625520110957 ZDOCK 0.03744798890429958

Year

2002 0.0 2003 0.0 2004 0.0018018018018018018 2005 0.0036036036036036037 2006 0.012612612612612612 2007 0.007207207207207207 2008 0.04504504504504504 2009 0.06126126126126126 2010 0.12432432432432433 2011 0.03963963963963964 2012 0.03063063063063063 2013 0.25045045045045045 2014 0.3783783783783784 2015 0.4882882882882883 2016 0.4918918918918919 2017 0.6702702702702703 2018 0.772972972972973 2019 1.0 2020 0.6936936936936937 2021 0.7945945945945946 2022 0.7027027027027027 2023 0.42882882882882883 2024 0.1927927927927928 2025 0.13333333333333333 2026 0.010810810810810811

Keywords

inhibition 1.0 target 0.9645727895206907 docking 0.35189044358440014 potential 0.22298303066388805 activity 0.18547186662697232 visualization 0.1771360523965466 novel 0.15570110151830902 inhibitor 0.14706757963679667 binding 0.11967847573682644 potent 0.10181601667162846 compound 0.09556415599880917 synthesized 0.08425126525751712 analysis 0.08306043465317059 vitro 0.06757963679666568 inhibitory 0.061923191426019646 synthesis 0.05805299196189342 enzyme 0.05031259303364097 between 0.04346531705864841 protein 0.02024412027389104 human 0.014885382554331646 drug 0.013396844298898482 interaction 0.011015183090205419 catalyst 0.003274784161952962 medicinal 0.0 treatment 0.0
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