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Application

Discovery Studio 1.0 Materials Studio 0.7808383233532934 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10566037735849057 Amorphous Cell 0.15660377358490565 Blends 0.0 CASTEP 0.3273584905660377 CDOCKER 0.19150943396226416 CHARMm 0.2679245283018868 COMPASS 0.2849056603773585 COMPASS III 0.05566037735849057 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.026415094339622643 Catalyst 0.27641509433962264 Classical Simulations 0.8830188679245283 Crystallization 0.12735849056603774 DFTB Plus 9.433962264150943E-4 DMol3 0.13584905660377358 DPD 0.0 Forcite 0.43018867924528303 GULP 0.011320754716981131 LUDI 0.0037735849056603774 LibDock 0.06792452830188679 LigandFit 9.433962264150943E-4 MCSS 9.433962264150943E-4 MODELER 0.1330188679245283 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.0018867924528301887 Morphology 0.017924528301886792 QSAR 9.433962264150943E-4 Quantum Mechanics 0.46320754716981133 Reflex 0.10660377358490566 Reflex Plus 0.0018867924528301887 Semi-empirical 9.433962264150943E-4 Sorption 0.04433962264150943 Synthia 0.0 TURBOMOLE 0.0 Visualization 1.0 X-Cell 0.0047169811320754715 ZDOCK 0.0037735849056603774

Year

2023 0.13676371022342587 2024 0.5768449559918755 2025 1.0 2026 0.3595125253893026 2027 0.0

Keywords

synthesized 1.0 target 0.9473480449090205 docking 0.32713898567557104 synthesis 0.3255903987611305 potential 0.29732868757259 novel 0.2667440960123887 visualization 0.22338366240805266 analysis 0.15524583817266743 compound 0.15369725125822686 promising 0.12349980642663569 activity 0.12233836624080527 binding 0.08826945412311266 between 0.07859078590785908 design 0.0600077429345722 inhibition 0.051490514905149054 potent 0.043747580332946186 vitro 0.0429732868757259 designed 0.030197444831591175 effective 0.025551684088269456 experimental 0.019744483159117306 cell 0.014711575687185443 silico 0.013550135501355014 development 0.007355787843592722 energy 0.004645760743321719 performance 0.0
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