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Application

Discovery Studio 1.0 Materials Studio 0.17428150331613854 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.015965166908563134 Amorphous Cell 0.03991291727140784 CASTEP 0.10449927431059507 CDOCKER 0.27866473149492016 CHARMm 0.37808417997097243 COMPASS 0.05587808417997097 COMPASS III 0.022496371552975326 COSMObase 0.0021770682148040637 COSMOconf 0.002902757619738752 COSMOtherm 0.03265602322206096 Catalyst 0.16400580551523947 Classical Simulations 0.5123367198838897 Crystallization 0.020319303338171262 DMol3 0.11175616835994194 Discover 0.0 Forcite 0.09361393323657474 GULP 0.002902757619738752 LUDI 0.002902757619738752 LibDock 0.1081277213352685 LigandFit 0.005805515239477504 MCSS 7.25689404934688E-4 MODELER 0.37590711175616837 Morphology 0.001451378809869376 QMERA 7.25689404934688E-4 QSAR 7.25689404934688E-4 Quantum Mechanics 0.21190130624092887 Reflex 0.018867924528301886 Semi-empirical 7.25689404934688E-4 Sorption 0.0043541364296081275 Visualization 1.0 ZDOCK 0.03555878084179971

Year

2023 0.0 2024 0.9722650231124808 2025 1.0 2026 0.02773497688751926

Keywords

activity 1.0 target 0.9575557994877424 docking 0.46249542627149653 potential 0.41090376875228685 visualization 0.28942553969996343 analysis 0.24222466154409075 novel 0.15697036223929747 binding 0.15148188803512624 vitro 0.11525795828759605 promising 0.1079399926820344 inhibition 0.08196121478229053 silico 0.07939992682034394 compound 0.07757043541895353 synthesized 0.06732528357116721 synthesis 0.06586169045005488 protein 0.05890962312477131 between 0.055250640321990487 potent 0.029271862422246615 therapeutic 0.02305159165751921 treatment 0.022319795096963045 development 0.020490303695572632 effective 0.01353823637028906 including 0.007317965605561654 drug 0.003293084522502744 active 0.0
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