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Application

Discovery Studio 1.0 Materials Studio 0.030995934959349592 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0028135048231511255 Amorphous Cell 0.009244372990353697 CASTEP 0.013665594855305467 CDOCKER 0.17443729903536978 CHARMm 0.2733118971061093 COMPASS 0.018890675241157555 COMPASS III 0.0028135048231511255 COSMOtherm 0.00482315112540193 Catalyst 0.1985530546623794 Classical Simulations 0.3062700964630225 Conformers 0.0 Crystallization 0.002411575562700965 DFTB Plus 0.0 DMol3 0.006028938906752411 Discover 8.038585209003215E-4 Forcite 0.02009646302250804 GULP 0.0012057877813504824 LUDI 0.006028938906752411 LibDock 0.0747588424437299 LigandFit 0.007636655948553055 MCSS 4.0192926045016077E-4 MODELER 0.07154340836012862 Morphology 4.0192926045016077E-4 Quantum Mechanics 0.01969453376205788 Reflex 0.001607717041800643 Semi-empirical 0.0 Sorption 0.0020096463022508037 Visualization 1.0 ZDOCK 0.0297427652733119

Year

2023 0.0

Keywords

target 1.0 docking 0.5585823081429409 visualization 0.5568248388986526 potential 0.35647334504979494 analysis 0.23755125951962508 binding 0.21382542472173405 protein 0.17926186291739896 activity 0.17135325131810195 novel 0.1555360281195079 silico 0.11599297012302284 vitro 0.11511423550087874 drug 0.10779144698301113 compound 0.09695371997656707 interaction 0.09109548916227299 synthesis 0.08260105448154657 between 0.08084358523725835 synthesized 0.07117750439367311 inhibition 0.07000585823081429 treatment 0.06004686584651435 development 0.033391915641476276 promising 0.017867603983596953 potent 0.017281780902167546 active 0.012302284710017574 therapeutic 0.00908025776215583 mechanism 0.0
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