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Application

Discovery Studio 1.0 Materials Studio 0.48403361344537815 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05184174624829468 Amorphous Cell 0.1800818553888131 Blends 0.0 CASTEP 0.2858117326057299 CDOCKER 0.3567530695770805 CHARMm 0.45020463847203274 COMPASS 0.27489768076398363 COMPASS III 0.06412005457025921 COSMObase 0.0020463847203274215 COSMOconf 0.0 COSMOperm 0.0 COSMOquick 0.0020463847203274215 COSMOtherm 0.038881309686221006 Catalyst 0.26125511596180084 Classical Simulations 0.9890859481582538 Conformers 0.0 Crystallization 0.047748976807639835 DFTB Plus 0.0 DMol3 0.12892223738062755 DPD 0.0020463847203274215 Discover 6.821282401091405E-4 Forcite 0.39631650750341063 GULP 0.007503410641200546 LUDI 0.007503410641200546 LibDock 0.12551159618008187 LigandFit 0.008867667121418827 MCSS 6.821282401091405E-4 MODELER 0.3533424283765348 MesoDyn 0.0 Mesocite 0.0020463847203274215 Mesoscale 0.004092769440654843 Morphology 0.008185538881309686 ONETEP 0.0 Polymorph 0.002728512960436562 QSAR 6.821282401091405E-4 Quantum Mechanics 0.40859481582537516 Reflex 0.03547066848567531 Reflex Plus 6.821282401091405E-4 Semi-empirical 0.0 Sorption 0.023192360163710776 Synthia 0.0 Visualization 1.0 X-Cell 6.821282401091405E-4 ZDOCK 0.03342428376534789

Year

2023 0.25119846596356665 2024 0.6821668264621285 2025 1.0 2026 0.2708533077660594 2027 0.0

Keywords

novel 1.0 target 0.9486176317162233 potential 0.36906624934793947 docking 0.33124673969744395 visualization 0.18518518518518517 analysis 0.1825769431403234 synthesized 0.13823682837767345 promising 0.130151278038602 synthesis 0.10380803338549817 activity 0.10224308815858112 binding 0.10146061554512259 development 0.08789775691184142 compound 0.07642149191444966 between 0.07172665623369849 vitro 0.02764736567553469 design 0.02556077203964528 protein 0.025039123630672927 therapeutic 0.025039123630672927 drug 0.024256651017214397 effective 0.02138758476786646 stability 0.018518518518518517 potent 0.01278038601982264 inhibition 0.011215440792905582 cell 0.006520605112154408 including 0.0
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