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Application

Discovery Studio 1.0 Materials Studio 0.9775362980549721 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06399713979263497 Amorphous Cell 0.27803599094267667 Blends 0.002264330830651889 CASTEP 0.36717912048623524 CDOCKER 0.16982481229889168 CHARMm 0.2671910380169229 COMPASS 0.35228220712668334 COMPASS III 0.0869979740197831 COSMObase 0.003575259206292456 COSMOconf 0.004290311047550947 COSMOmic 1.1917530687641521E-4 COSMOperm 8.342271481349065E-4 COSMOplex 1.1917530687641521E-4 COSMOquick 0.0014301036825169824 COSMOtherm 0.06220951018948874 Cantera 0.0 Catalyst 0.11631509951138125 Classical Simulations 1.0 Conformers 7.150518412584912E-4 Crystallization 0.07353116434274819 DFTB Plus 0.004528661661303778 DMol3 0.1651769753307115 DPD 0.002264330830651889 Discover 0.003456083899416041 Forcite 0.5294958884519128 GULP 0.021570730544631152 Kinetix 2.3835061375283043E-4 LUDI 0.004886187581933024 LibDock 0.0712668335120963 LigandFit 0.005482064116315099 MCSS 7.150518412584912E-4 MODELER 0.2123703968537719 MesoDyn 8.342271481349065E-4 Mesocite 0.003336908592539626 Mesoscale 0.0059587653438207605 Modules 0.0 Morphology 0.01787629603146228 ONETEP 0.0010725777618877368 Polymorph 0.001787629603146228 QMERA 1.1917530687641521E-4 QSAR 8.342271481349065E-4 Quantum Mechanics 0.5227028959599571 Reflex 0.053271362173757594 Reflex Plus 9.534024550113217E-4 Semi-empirical 0.006316291264450006 Sorption 0.05601239423191515 Synthia 8.342271481349065E-4 TURBOMOLE 5.95876534382076E-4 VAMP 0.0014301036825169824 Visualization 0.8078894053152187 X-Cell 0.0014301036825169824 ZDOCK 0.028959599570968896

Year

2022 0.06384455239417071 2023 0.2389213839595519 2024 0.5788638842073957 2025 1.0 2026 0.42133439080003965 2027 0.0

Keywords

target 1.0 potential 0.292054591620821 docking 0.22762378332628017 analysis 0.20239102835378756 visualization 0.20006347862886162 between 0.15277190012695727 novel 0.10368176047397376 energy 0.08511426153195091 binding 0.07813161235717309 promising 0.06749894202285231 cell 0.06437790943715616 activity 0.05623148539991536 stability 0.04057342361404993 performance 0.033008887008040624 interaction 0.03247989843419382 synthesized 0.030363944138806602 experimental 0.02597333897587812 effective 0.022482014388489208 including 0.021794329242488364 mechanism 0.02174143038510368 development 0.02068345323741007 protein 0.02047185780787135 synthesis 0.01296022005924672 design 0.003914515446466356 enhanced 0.0
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