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Application

Discovery Studio 1.0 Materials Studio 0.7422284317149843 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04759519038076152 Amorphous Cell 0.2590180360721443 Blends 0.001002004008016032 CASTEP 0.25501002004008017 CDOCKER 0.20240480961923848 CHARMm 0.3221442885771543 COMPASS 0.31012024048096193 COMPASS III 0.11272545090180361 COSMObase 0.004008016032064128 COSMOconf 0.00751503006012024 COSMOmic 0.0 COSMOperm 5.01002004008016E-4 COSMOplex 5.01002004008016E-4 COSMOtherm 0.06012024048096192 Catalyst 0.08466933867735471 Classical Simulations 1.0 Conformers 5.01002004008016E-4 Crystallization 0.06963927855711423 DFTB Plus 0.0035070140280561123 DMol3 0.11573146292585171 DPD 0.001503006012024048 Discover 0.0035070140280561123 Forcite 0.48396793587174347 GULP 0.011022044088176353 Kinetix 0.0 LUDI 0.003006012024048096 LibDock 0.07965931863727455 LigandFit 0.004008016032064128 MODELER 0.2995991983967936 Mesocite 0.004008016032064128 Mesoscale 0.00501002004008016 Morphology 0.01603206412825651 ONETEP 0.001002004008016032 Polymorph 0.002004008016032064 Quantum Mechanics 0.3667334669338677 Reflex 0.050100200400801605 Reflex Plus 0.0 Semi-empirical 0.004008016032064128 Sorption 0.05861723446893788 Synthia 0.001002004008016032 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7990981963927856 X-Cell 5.01002004008016E-4 ZDOCK 0.033066132264529056

Year

2024 0.06196275071633238 2025 1.0 2026 0.8477793696275072 2027 0.0

Keywords

target 1.0 potential 0.34957369062119364 docking 0.2784409257003654 analysis 0.23775883069427528 visualization 0.20292326431181487 between 0.1218026796589525 binding 0.10937880633373934 promising 0.09695493300852619 novel 0.09549330085261876 activity 0.0679658952496955 cell 0.048964677222898906 energy 0.04652862362971985 stability 0.03946406820950061 including 0.036297198538367846 strong 0.03142509135200974 therapeutic 0.024604141291108404 effective 0.018026796589524968 development 0.01705237515225335 performance 0.01559074299634592 protein 0.014859926918392205 mechanism 0.01315468940316687 synthesized 0.008526187576126675 interaction 0.00682095006090134 strategy 0.006577344701583435 inhibition 0.0
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