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Application

Discovery Studio 1.0 Materials Studio 0.9607127823768766 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05967189471786551 Amorphous Cell 0.27888948981431405 Blends 0.0019830539030106366 CASTEP 0.34018388318009735 CDOCKER 0.17090319091400757 CHARMm 0.2680728321615288 COMPASS 0.3477555435370471 COMPASS III 0.09933297277807825 COSMObase 0.004326663061114116 COSMOconf 0.005408328826392645 COSMOmic 1.802776275464215E-4 COSMOperm 0.0012619433928249505 COSMOplex 1.802776275464215E-4 COSMOquick 9.013881377321074E-4 COSMOtherm 0.06471966828916531 Catalyst 0.09608797548224265 Classical Simulations 1.0 Conformers 3.60555255092843E-4 Crystallization 0.07229132864611501 DFTB Plus 0.0048674959437533805 DMol3 0.15720209122047954 DPD 0.002523886785649901 Discover 0.004326663061114116 Forcite 0.5296556697313863 GULP 0.019289706147467098 Kinetix 1.802776275464215E-4 LUDI 0.0036055525509284298 LibDock 0.0712096628808365 LigandFit 0.004146385433567695 MCSS 0.0 MODELER 0.24373535244276184 MesoDyn 7.21110510185686E-4 Mesocite 0.002523886785649901 Mesoscale 0.005588606453939066 Modules 0.0 Morphology 0.017667207499549305 ONETEP 9.013881377321074E-4 Polymorph 0.002163331530557058 QMERA 1.802776275464215E-4 QSAR 7.21110510185686E-4 Quantum Mechanics 0.48765098251307015 Reflex 0.05155940147827655 Reflex Plus 0.0012619433928249505 Semi-empirical 0.006309716964124752 Sorption 0.05804939606994772 Synthia 0.0016224986479177934 TURBOMOLE 1.802776275464215E-4 VAMP 9.013881377321074E-4 Visualization 0.7701460248783126 X-Cell 0.0012619433928249505 ZDOCK 0.028664142779881017

Year

2023 0.10949214881878624 2024 0.43938322252086576 2025 1.0 2026 0.5799971707455086 2027 0.0

Keywords

target 1.0 potential 0.2990044340332971 docking 0.22655400317911822 analysis 0.21099305613653477 visualization 0.1842215343428428 between 0.14632309880364763 novel 0.09646113946289635 promising 0.07813937923533841 energy 0.07529490504475864 binding 0.07378900694386346 cell 0.06073789006943864 activity 0.05471429766585794 stability 0.03672718146072116 performance 0.02969965698987702 synthesized 0.02166820045176943 including 0.01748515017150506 interaction 0.017066845143478625 development 0.01623023508742575 effective 0.015477286036978165 experimental 0.014473353969714716 mechanism 0.013971387936082992 protein 0.005521626369948966 enhanced 0.002677152179369196 synthesis 7.529490504475864E-4 strong 0.0
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