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Application

Discovery Studio 0.8191738113795791 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05687203791469194 Amorphous Cell 0.28720379146919434 Blends 0.002369668246445498 CASTEP 0.2943127962085308 CDOCKER 0.14834123222748816 CHARMm 0.23080568720379147 COMPASS 0.35687203791469196 COMPASS III 0.12132701421800948 COSMObase 0.0042654028436018955 COSMOconf 0.0071090047393364926 COSMOmic 0.0 COSMOperm 4.7393364928909954E-4 COSMOplex 4.7393364928909954E-4 COSMOtherm 0.06635071090047394 Catalyst 0.06587677725118483 Classical Simulations 1.0 Conformers 4.7393364928909954E-4 Crystallization 0.07725118483412323 DFTB Plus 0.0033175355450236967 DMol3 0.13838862559241707 DPD 0.0014218009478672985 Discover 0.0033175355450236967 Forcite 0.5497630331753555 GULP 0.014218009478672985 Kinetix 0.0 LUDI 0.0014218009478672985 LibDock 0.05687203791469194 LigandFit 0.002843601895734597 MODELER 0.2052132701421801 Mesocite 0.0042654028436018955 Mesoscale 0.005213270142180095 Morphology 0.017061611374407582 ONETEP 9.478672985781991E-4 Polymorph 0.002369668246445498 QMERA 0.0 Quantum Mechanics 0.4270142180094787 Reflex 0.05639810426540284 Reflex Plus 0.0 Semi-empirical 0.004739336492890996 Sorption 0.06350710900473934 Synthia 9.478672985781991E-4 TURBOMOLE 0.0 VAMP 4.7393364928909954E-4 Visualization 0.5938388625592417 X-Cell 0.0014218009478672985 ZDOCK 0.024170616113744076

Year

2024 0.0 2025 0.7846906675987417 2026 1.0 2027 0.003495281370150297

Keywords

target 1.0 potential 0.30299089726918077 analysis 0.21326397919375814 docking 0.1895968790637191 visualization 0.14408322496749024 between 0.14148244473342003 promising 0.0964889466840052 energy 0.08816644993498049 novel 0.08556566970091027 cell 0.07048114434330299 performance 0.06840052015604682 binding 0.06033810143042913 stability 0.04525357607282185 strong 0.038751625487646296 activity 0.03823146944083225 strategy 0.032509752925877766 enhanced 0.02964889466840052 including 0.028868660598179455 mechanism 0.02574772431729519 development 0.01846553966189857 effective 0.01846553966189857 experimental 0.01118335500650195 design 0.009102730819245773 synthesized 0.005201560468140442 therapeutic 0.0
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