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Application

Discovery Studio 1.0 Materials Studio 0.13976833976833977 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.011529592621060722 Amorphous Cell 0.034588777863182166 CASTEP 0.08685626441199078 CDOCKER 0.29362029208301305 CHARMm 0.38970023059185244 COMPASS 0.044581091468101464 COMPASS III 0.021521906225980016 COSMObase 0.0023059185242121443 COSMOconf 0.0023059185242121443 COSMOtherm 0.029208301306687164 Catalyst 0.1614142966948501 Classical Simulations 0.5003843197540354 Crystallization 0.016910069177555727 DMol3 0.09146810146041506 Discover 0.0 Forcite 0.07455803228285934 GULP 0.0030745580322828594 LUDI 0.0030745580322828594 LibDock 0.11222136817832437 LigandFit 0.006149116064565719 MCSS 7.686395080707148E-4 MODELER 0.3697156033820138 Morphology 7.686395080707148E-4 QMERA 7.686395080707148E-4 Quantum Mechanics 0.17371252882398155 Reflex 0.01614142966948501 Semi-empirical 7.686395080707148E-4 Sorption 0.0030745580322828594 Visualization 1.0 ZDOCK 0.035357417371252885

Year

2023 0.01384083044982699 2024 0.8858131487889274 2025 1.0 2026 0.0

Keywords

activity 1.0 target 0.9600948241801659 docking 0.49348083761359146 potential 0.4271039114974318 visualization 0.3038324772817068 analysis 0.25444488344527855 binding 0.16752271829316476 novel 0.16199130778348478 vitro 0.12445673646779928 promising 0.11141841169498222 inhibition 0.09996048992493085 compound 0.09047807190833662 silico 0.08494666139865666 synthesized 0.07546424338206242 protein 0.075069142631371 synthesis 0.07072303437376531 between 0.050177795337811144 potent 0.036744369814302645 therapeutic 0.03516396681153694 treatment 0.026076649545634135 development 0.024891347293559858 including 0.014223627024891347 effective 0.013433425523508494 drug 0.012643224022125641 active 0.0
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