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Application

Discovery Studio 1.0 Materials Studio 0.15539494062983997 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014558395341313491 Amorphous Cell 0.024263992235522485 Blends 0.0 CASTEP 0.09058557101261727 CDOCKER 0.2843739890003235 CHARMm 0.34325461015852476 COMPASS 0.046910384988676807 COMPASS III 0.012617275962471692 COSMObase 9.705596894208993E-4 COSMOconf 0.0016175994823681655 COSMOperm 0.0 COSMOtherm 0.02070527337431252 Catalyst 0.19184729860886446 Classical Simulations 0.44483985765124556 Conformers 3.2351989647363315E-4 Crystallization 0.019411193788417987 DMol3 0.1035263668715626 DPD 0.0 Discover 3.2351989647363315E-4 Forcite 0.0682626981559366 GULP 0.0029116790682626984 LUDI 0.0035587188612099642 LibDock 0.10611452604335167 LigandFit 0.015205435134260757 MCSS 0.0016175994823681655 MODELER 0.28857974765448074 Mesocite 6.470397929472663E-4 Mesoscale 6.470397929472663E-4 Morphology 0.0019411193788417987 ONETEP 3.2351989647363315E-4 Polymorph 0.0 QMERA 3.2351989647363315E-4 QSAR 6.470397929472663E-4 Quantum Mechanics 0.1905532190229699 Reflex 0.017146554513102555 Semi-empirical 6.470397929472663E-4 Sorption 0.0038822387576835974 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03235198964736331

Year

2018 0.02557544757033248 2019 0.0748081841432225 2020 0.10358056265984655 2021 0.14578005115089515 2022 0.24168797953964194 2023 0.7359335038363172 2024 1.0 2025 0.8318414322250639 2026 0.0

Keywords

activity 1.0 target 0.9668460336747092 docking 0.4587745183127929 potential 0.3532372851935428 visualization 0.3388300642249609 analysis 0.20031244575594515 novel 0.16681131747960423 binding 0.15205693455997224 vitro 0.12723485505988544 compound 0.09928831800034717 inhibition 0.09442805068564486 synthesis 0.09390730775906961 synthesized 0.0890470404443673 protein 0.08626974483596597 promising 0.06908522825898282 silico 0.06648151362610658 between 0.06005901753167853 potent 0.04634612046519702 active 0.03992362437076896 treatment 0.03575768095816698 drug 0.027772956084013194 development 0.019614650234334317 interaction 0.014927963895157092 enzyme 0.011629925360180524 mechanism 0.0
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