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Application

Discovery Studio 1.0 Materials Studio 0.9521755438859715 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05986330426584963 Amorphous Cell 0.27244873909969364 Blends 0.0023568230025925053 CASTEP 0.3200565637520622 CDOCKER 0.17511194909262315 CHARMm 0.2811689842092859 COMPASS 0.33325477256658026 COMPASS III 0.10487862361536648 COSMObase 0.004949328305444261 COSMOconf 0.005420692905962762 COSMOmic 0.0 COSMOperm 4.713646005185011E-4 COSMOplex 2.3568230025925054E-4 COSMOquick 9.427292010370022E-4 COSMOtherm 0.06316285646947914 Catalyst 0.08036766438840443 Classical Simulations 1.0 Conformers 4.713646005185011E-4 Crystallization 0.07259014847984917 DFTB Plus 0.003535234503888758 DMol3 0.14800848456280932 DPD 0.002592505302851756 Discover 0.0047136460051850106 Forcite 0.5149658260664625 GULP 0.016733443318406788 Kinetix 2.3568230025925054E-4 LUDI 0.004242281404666509 LibDock 0.07282583078010842 LigandFit 0.00447796370492576 MCSS 2.3568230025925054E-4 MODELER 0.26231440018854585 MesoDyn 7.070469007777516E-4 Mesocite 0.003063869903370257 Mesoscale 0.006127739806740514 Modules 0.0 Morphology 0.016262078717888286 ONETEP 9.427292010370022E-4 Polymorph 0.0021211407023332546 QMERA 2.3568230025925054E-4 QSAR 4.713646005185011E-4 Quantum Mechanics 0.45840207400424227 Reflex 0.052792835258072116 Reflex Plus 7.070469007777516E-4 Semi-empirical 0.004949328305444261 Sorption 0.055385340560923875 Synthia 0.0011784115012962526 TURBOMOLE 0.0 VAMP 7.070469007777516E-4 Visualization 0.7157671458873439 X-Cell 0.0014140938015555031 ZDOCK 0.029460287532406315

Year

2024 0.3932143557560306 2025 1.0 2026 0.8072171013924299 2027 0.0

Keywords

target 1.0 potential 0.31416131989000917 docking 0.2340742438130156 analysis 0.22548120989917506 visualization 0.17071494042163152 between 0.14482126489459213 novel 0.09589825847846013 promising 0.09280476626947755 binding 0.08111824014665445 energy 0.0704628780934922 cell 0.06003666361136572 activity 0.050756186984417966 stability 0.0423923006416132 performance 0.03551787351054079 including 0.025893675527039414 synthesized 0.018675527039413383 development 0.017529789184234645 effective 0.017071494042163154 strong 0.016154903758020166 mechanism 0.013634280476626948 enhanced 0.010999083409715857 experimental 0.009280476626947755 interaction 0.008363886342804766 protein 0.004353803849679193 strategy 0.0
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