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Application

Discovery Studio 1.0 Materials Studio 0.3143262987012987 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03524559430071241 Amorphous Cell 0.11286089238845144 Blends 0.0014998125234345708 CASTEP 0.1649793775778028 CDOCKER 0.22272215973003376 CHARMm 0.3577052868391451 COMPASS 0.18222722159730034 COMPASS III 0.017622797150356206 COSMObase 3.749531308586427E-4 COSMOconf 3.749531308586427E-4 COSMOperm 7.499062617172854E-4 COSMOquick 3.749531308586427E-4 COSMOtherm 0.022122234720659918 Catalyst 0.15035620547431572 Classical Simulations 0.6891638545181852 Conformers 3.749531308586427E-4 Crystallization 0.04086989126359205 DFTB Plus 0.0044994375703037125 DMol3 0.0738657667791526 DPD 0.0011248593925759281 Forcite 0.22909636295463068 GULP 0.014248218972628422 Kinetix 0.0 LUDI 0.0037495313085864268 LibDock 0.09523809523809523 LigandFit 0.006749156355455568 MCSS 0.0011248593925759281 MODELER 0.33858267716535434 MesoDyn 0.0014998125234345708 Mesocite 0.0014998125234345708 Mesoscale 0.0044994375703037125 Morphology 0.00974878140232471 ONETEP 0.0 Polymorph 3.749531308586427E-4 QSAR 3.749531308586427E-4 Quantum Mechanics 0.23659542557180352 Reflex 0.029996250468691414 Semi-empirical 0.00562429696287964 Sorption 0.023247094113235847 Synthia 0.0011248593925759281 TURBOMOLE 7.499062617172854E-4 VAMP 7.499062617172854E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03749531308586427

Year

2024 0.0

Keywords

target 1.0 docking 0.3949348504312718 potential 0.3587814277849147 visualization 0.3011561754450358 analysis 0.23233620847861994 binding 0.14516425032115984 novel 0.12405946045145898 activity 0.10992842723435493 between 0.10644154890805653 protein 0.08882363736465407 promising 0.05083501559919251 vitro 0.04110846026793907 silico 0.0403743806202973 interaction 0.04019086070838686 drug 0.02881262616993944 synthesis 0.02642686731510369 compound 0.02349054872453661 synthesized 0.014681592952835382 treatment 0.014314553129014498 therapeutic 0.01211231418608919 development 0.01119471462653698 inhibition 0.008625435859790788 including 0.004771517709671499 effective 0.003853918150119288 stability 0.0
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