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Application

Discovery Studio 1.0 Materials Studio 0.7755395683453238 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10328638497652583 Amorphous Cell 0.16666666666666666 CASTEP 0.28169014084507044 CDOCKER 0.20187793427230047 CHARMm 0.3215962441314554 COMPASS 0.3286384976525822 COMPASS III 0.07746478873239436 COSMObase 0.0 COSMOperm 0.0 COSMOtherm 0.028169014084507043 Catalyst 0.3028169014084507 Classical Simulations 1.0 Crystallization 0.13145539906103287 DMol3 0.14084507042253522 DPD 0.0 Forcite 0.4624413145539906 GULP 0.007042253521126761 LUDI 0.004694835680751174 LibDock 0.07511737089201878 LigandFit 0.0 MODELER 0.1619718309859155 Mesoscale 0.0 Morphology 0.02112676056338028 Quantum Mechanics 0.4225352112676056 Reflex 0.107981220657277 Sorption 0.03990610328638498 Visualization 0.9507042253521126 X-Cell 0.007042253521126761 ZDOCK 0.0

Year

2024 0.13304721030042918 2025 1.0 2026 0.6866952789699571 2027 0.0

Keywords

synthesized 1.0 target 0.8962264150943396 docking 0.32169811320754715 potential 0.3150943396226415 synthesis 0.30849056603773584 novel 0.27075471698113207 visualization 0.1792452830188679 analysis 0.15754716981132075 compound 0.15660377358490565 promising 0.14056603773584905 activity 0.11037735849056604 binding 0.10377358490566038 design 0.06886792452830189 inhibition 0.06886792452830189 between 0.0660377358490566 potent 0.03679245283018868 vitro 0.026415094339622643 effective 0.02358490566037736 strong 0.02358490566037736 designed 0.01509433962264151 performance 0.011320754716981131 experimental 0.0037735849056603774 development 0.002830188679245283 silico 0.0018867924528301887 including 0.0
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