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Application

Discovery Studio 1.0 Materials Studio 0.13929928239763614 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.011343804537521814 Amorphous Cell 0.038394415357766144 CASTEP 0.09336823734729494 CDOCKER 0.30017452006980805 CHARMm 0.4048865619546248 COMPASS 0.04537521815008726 COMPASS III 0.02617801047120419 COSMObase 0.0017452006980802793 COSMOconf 0.0017452006980802793 COSMOtherm 0.03228621291448516 Catalyst 0.16928446771378708 Classical Simulations 0.5218150087260035 Crystallization 0.016579406631762654 DMol3 0.09336823734729494 Discover 0.0 Forcite 0.07766143106457242 GULP 0.0034904013961605585 LUDI 0.0034904013961605585 LibDock 0.11605584642233857 LigandFit 0.006108202443280977 MCSS 8.726003490401396E-4 MODELER 0.4214659685863874 Morphology 8.726003490401396E-4 QMERA 8.726003490401396E-4 QSAR 0.0 Quantum Mechanics 0.1823734729493892 Reflex 0.015706806282722512 Semi-empirical 8.726003490401396E-4 Sorption 0.0034904013961605585 Visualization 1.0 ZDOCK 0.041884816753926704

Year

2023 0.0 2024 0.9079048349961627 2025 1.0 2026 0.13967766692248657

Keywords

activity 1.0 target 0.9595652173913043 docking 0.47695652173913045 potential 0.42869565217391303 visualization 0.27695652173913043 analysis 0.2508695652173913 binding 0.16434782608695653 novel 0.16130434782608696 vitro 0.12217391304347826 promising 0.1126086956521739 inhibition 0.08695652173913043 compound 0.08521739130434783 silico 0.08478260869565217 synthesis 0.06652173913043478 synthesized 0.06478260869565218 protein 0.06304347826086956 between 0.04782608695652174 potent 0.03260869565217391 therapeutic 0.029130434782608697 treatment 0.02217391304347826 development 0.016956521739130436 effective 0.00826086956521739 including 0.00826086956521739 drug 0.002173913043478261 active 0.0
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