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Application

Discovery Studio 1.0 Materials Studio 0.1580294305822137 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.01417413942724906 Amorphous Cell 0.025166329187156493 Blends 0.0 CASTEP 0.08591264101822389 CDOCKER 0.26815157651142607 CHARMm 0.31790569858258605 COMPASS 0.04483656349435927 COMPASS III 0.011570726063060458 COSMObase 8.678044547295343E-4 COSMOconf 0.0014463407578825572 COSMOperm 0.0 COSMOtherm 0.017066820943014174 Catalyst 0.16575065085334104 Classical Simulations 0.41654613827017645 Conformers 2.892681515765114E-4 Crystallization 0.0202487706103558 DFTB Plus 2.892681515765114E-4 DMol3 0.10153312120335552 DPD 0.0 Discover 5.785363031530228E-4 Forcite 0.06711021116575065 GULP 0.0028926815157651145 LUDI 0.0028926815157651145 LibDock 0.09950824414231993 LigandFit 0.012727798669366503 MCSS 0.0011570726063060456 MODELER 0.253977437084177 MesoDyn 0.0 Mesocite 5.785363031530228E-4 Mesoscale 8.678044547295343E-4 Morphology 0.0017356089094590686 ONETEP 2.892681515765114E-4 Polymorph 0.0 QMERA 2.892681515765114E-4 QSAR 5.785363031530228E-4 Quantum Mechanics 0.18368527625108474 Reflex 0.01822389354932022 Semi-empirical 0.0014463407578825572 Sorption 0.004339022273647671 VAMP 2.892681515765114E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.029794619612380675

Year

2019 0.0 2020 0.126131221719457 2021 0.3416289592760181 2022 0.501131221719457 2023 0.7183257918552036 2024 1.0 2025 0.7743212669683258 2026 0.03619909502262444

Keywords

activity 1.0 target 0.9690938511326861 docking 0.4677993527508091 visualization 0.35970873786407764 potential 0.3540453074433657 analysis 0.20679611650485438 novel 0.1627831715210356 binding 0.15453074433656958 vitro 0.12540453074433658 compound 0.10016181229773463 synthesis 0.09514563106796116 inhibition 0.09110032362459547 synthesized 0.09093851132686084 protein 0.08737864077669903 silico 0.07330097087378641 promising 0.06779935275080906 between 0.058737864077669906 active 0.043042071197411005 potent 0.041423948220064725 treatment 0.03478964401294499 drug 0.02831715210355987 development 0.017961165048543688 interaction 0.01423948220064725 enzyme 0.00889967637540453 effective 0.0
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