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Application

Discovery Studio 0.9283759124087592 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.061313076505697235 Amorphous Cell 0.2821486706456864 Blends 0.002170374389582203 CASTEP 0.29137276180141075 CDOCKER 0.15789473684210525 CHARMm 0.24688008681497559 COMPASS 0.34129137276180144 COMPASS III 0.1166576234400434 COSMObase 0.0032555615843733042 COSMOconf 0.0065111231687466084 COSMOmic 0.0 COSMOperm 0.0010851871947911015 COSMOplex 0.0 COSMOquick 0.0 COSMOtherm 0.06402604449267499 Catalyst 0.07216494845360824 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08084644601193706 DFTB Plus 0.0027129679869777536 DMol3 0.13185024416711882 DPD 0.0027129679869777536 Discover 0.0032555615843733042 Forcite 0.5377102550189907 GULP 0.012479652740097666 Kinetix 0.0 LUDI 0.002170374389582203 LibDock 0.061313076505697235 LigandFit 0.002170374389582203 MODELER 0.2311448724905046 Mesocite 0.0037981551817688553 Mesoscale 0.0065111231687466084 Morphology 0.018990775908844276 ONETEP 0.0010851871947911015 Polymorph 5.425935973955507E-4 QMERA 0.0 Quantum Mechanics 0.4183396635919696 Reflex 0.05860010851871948 Reflex Plus 5.425935973955507E-4 Semi-empirical 0.004340748779164406 Sorption 0.05914270211611503 Synthia 5.425935973955507E-4 TURBOMOLE 0.0 VAMP 5.425935973955507E-4 Visualization 0.6489419424850786 X-Cell 0.0 ZDOCK 0.02333152468800868

Year

2024 0.02794759825327511 2025 0.9650655021834061 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.3166763509587449 analysis 0.226321905868681 docking 0.21731551423590936 visualization 0.1621150493898896 between 0.13393375944218477 promising 0.09732713538640325 novel 0.09093550261475886 binding 0.07844276583381755 cell 0.0674026728646136 energy 0.06711214410226612 stability 0.05084253341080767 performance 0.04880883207437536 activity 0.04822777454968042 strong 0.029924462521789656 enhanced 0.02440441603718768 strategy 0.022370714700755374 including 0.02033701336432307 effective 0.017722254503195815 synthesized 0.016269610691458453 mechanism 0.015979081929110982 development 0.014235909355026147 design 0.004648460197559558 experimental 5.810575246949448E-4 therapeutic 0.0
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