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Application

Discovery Studio 1.0 Materials Studio 0.3676572218382861 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05837004405286344 Amorphous Cell 0.0605726872246696 CASTEP 0.15859030837004406 CDOCKER 0.15748898678414097 CHARMm 0.2522026431718062 COMPASS 0.12334801762114538 COMPASS III 0.03524229074889868 COSMObase 0.0 COSMOperm 0.0011013215859030838 COSMOtherm 0.023127753303964757 Catalyst 0.26762114537444937 Classical Simulations 0.5506607929515418 Crystallization 0.06167400881057269 DFTB Plus 0.0011013215859030838 DMol3 0.08590308370044053 Discover 0.0011013215859030838 Forcite 0.197136563876652 GULP 0.006607929515418502 Kinetix 0.0 LUDI 0.003303964757709251 LibDock 0.0605726872246696 LigandFit 0.0 MCSS 0.0011013215859030838 MODELER 0.1211453744493392 MesoDyn 0.0 Mesoscale 0.0 Morphology 0.006607929515418502 Quantum Mechanics 0.2422907488986784 Reflex 0.05616740088105727 Semi-empirical 0.0011013215859030838 Sorption 0.02092511013215859 Visualization 1.0 ZDOCK 0.00881057268722467

Year

2022 0.01876172607879925 2023 0.5872420262664165 2024 0.9699812382739212 2025 1.0 2026 0.0

Keywords

synthesis 1.0 target 0.9690011481056258 docking 0.45464982778415614 synthesized 0.40929965556831227 visualization 0.34615384615384615 potential 0.3036739380022962 novel 0.269804822043628 compound 0.1928817451205511 analysis 0.17508610792192883 activity 0.16991963260619977 design 0.1486796785304248 binding 0.11538461538461539 promising 0.10562571756601608 inhibition 0.08840413318025259 vitro 0.08668197474167623 potent 0.07634902411021814 between 0.05912743972445465 silico 0.04535017221584386 active 0.03214695752009185 effective 0.02123995407577497 protein 0.015499425947187142 drug 0.010907003444316877 catalyst 0.010332950631458095 designed 0.010332950631458095 evaluation 0.0
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