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Application

Discovery Studio 1.0 Materials Studio 0.463855421686747 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04065040650406504 Amorphous Cell 0.13414634146341464 CASTEP 0.3699186991869919 CDOCKER 0.2764227642276423 CHARMm 0.532520325203252 COMPASS 0.15853658536585366 COMPASS III 0.052845528455284556 COSMObase 0.008130081300813009 COSMOconf 0.0 COSMOtherm 0.044715447154471545 Catalyst 0.17886178861788618 Classical Simulations 0.9390243902439024 Crystallization 0.06097560975609756 DMol3 0.14634146341463414 Discover 0.0040650406504065045 Forcite 0.27235772357723576 GULP 0.0040650406504065045 LUDI 0.0 LibDock 0.0975609756097561 LigandFit 0.0040650406504065045 MODELER 0.35772357723577236 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0 QMERA 0.0 Quantum Mechanics 0.4959349593495935 Reflex 0.056910569105691054 Semi-empirical 0.0 Sorption 0.028455284552845527 Visualization 1.0 X-Cell 0.008130081300813009 ZDOCK 0.036585365853658534

Year

2024 0.0 2025 1.0 2026 0.5035799522673031

Keywords

promising 1.0 target 0.8966613672496025 potential 0.4785373608903021 docking 0.35453100158982515 analysis 0.26073131955484896 novel 0.20031796502384738 visualization 0.17965023847376788 binding 0.16057233704292528 therapeutic 0.15262321144674085 activity 0.10651828298887123 strong 0.09538950715421304 stability 0.08426073131955485 development 0.07313195548489666 including 0.06041335453100159 inhibition 0.05087440381558029 between 0.0492845786963434 compound 0.04769475357710652 synthesized 0.04133545310015898 potent 0.033386327503974564 effective 0.02384737678855326 strategy 0.017488076311605722 targeting 0.01589825119236884 protein 0.014308426073131956 treatment 0.0047694753577106515 efficacy 0.0
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