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Application

Discovery Studio 1.0 Materials Studio 0.16869728209934395 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.01653729328383395 Amorphous Cell 0.026662166722915964 Blends 0.0 CASTEP 0.0901113736078299 CDOCKER 0.25885926425919675 CHARMm 0.3142085723928451 COMPASS 0.04826189672629092 COMPASS III 0.01282483968950388 COSMObase 0.0010124873439082012 COSMOconf 0.0016874789065136687 COSMOtherm 0.017887276409044885 Catalyst 0.16199797502531219 Classical Simulations 0.42220722240971986 Conformers 3.374957813027337E-4 Crystallization 0.01991225109686129 DFTB Plus 3.374957813027337E-4 DMol3 0.10698616267296658 DPD 0.0 Discover 6.749915626054674E-4 Forcite 0.07391157610529868 GULP 0.0026999662504218697 LUDI 0.0030374620317246033 LibDock 0.09787377657779278 LigandFit 0.01181235234559568 MCSS 3.374957813027337E-4 MODELER 0.24974687816402294 MesoDyn 0.0 Mesocite 3.374957813027337E-4 Mesoscale 6.749915626054674E-4 Morphology 0.0020249746878164025 Polymorph 0.0 QMERA 6.749915626054674E-4 QSAR 3.374957813027337E-4 Quantum Mechanics 0.19271009112386095 Reflex 0.017549780627742154 Semi-empirical 0.0016874789065136687 Sorption 0.005062436719541006 VAMP 0.0 Visualization 1.0 ZDOCK 0.03138710766115423

Year

2019 0.0 2020 0.16566429743028976 2021 0.24330235101148168 2022 0.3482777474029524 2023 0.750683433570257 2024 1.0 2025 0.825587752870421 2026 0.1131765992345544

Keywords

activity 1.0 target 0.9687264506405425 docking 0.4683496608892238 potential 0.3624717407686511 visualization 0.35437076111529764 analysis 0.2121326299924642 binding 0.15806330067822155 novel 0.15712132629992465 vitro 0.12207987942727958 compound 0.09589299171062547 inhibition 0.08816880180859081 synthesis 0.08685003767897513 synthesized 0.0830821401657875 protein 0.08119819140919367 promising 0.0725320271288621 silico 0.06951770911831198 between 0.056895252449133384 active 0.039374529012810855 potent 0.03636021100226074 treatment 0.035041446872645064 drug 0.024114544084400905 development 0.01563677467972871 interaction 0.011680482290881688 effective 0.0015071590052750565 enzyme 0.0
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