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Application

Discovery Studio 1.0 Materials Studio 0.1128694437979986 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.009944751381215469 Amorphous Cell 0.03425414364640884 Blends 0.0 CASTEP 0.055248618784530384 CDOCKER 0.17826887661141805 CHARMm 0.27845303867403315 COMPASS 0.06335174953959484 COMPASS III 0.005893186003683241 COSMOtherm 0.009944751381215469 Catalyst 0.19705340699815838 Classical Simulations 0.3841620626151013 Conformers 3.6832412523020257E-4 Crystallization 0.009208103130755065 DFTB Plus 3.6832412523020257E-4 DMol3 0.02725598526703499 DPD 0.0 Discover 0.0029465930018416206 Forcite 0.07255985267034991 GULP 0.004051565377532229 LUDI 0.006998158379373849 LibDock 0.07292817679558011 LigandFit 0.008103130755064457 MCSS 3.6832412523020257E-4 MODELER 0.07808471454880295 Mesocite 3.6832412523020257E-4 Mesoscale 3.6832412523020257E-4 Morphology 0.0029465930018416206 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.07992633517495396 Reflex 0.0055248618784530384 Semi-empirical 7.366482504604051E-4 Sorption 0.005893186003683241 VAMP 0.0 Visualization 1.0 ZDOCK 0.029465930018416207

Year

2023 0.0

Keywords

target 1.0 docking 0.509327442317133 visualization 0.49705449189985274 potential 0.3289150711831124 analysis 0.22533136966126657 binding 0.19170348551791852 protein 0.15905743740795286 activity 0.14948453608247422 novel 0.14482081492390772 silico 0.09916543937162493 vitro 0.09425625920471281 drug 0.0937653411880216 between 0.09081983308787432 interaction 0.08689248895434462 compound 0.0822287677957781 synthesis 0.06578301423662249 synthesized 0.05964653902798233 inhibition 0.0547373588610702 treatment 0.04590083456062838 development 0.027245949926362298 promising 0.01644575355915562 potent 0.008100147275405008 active 0.006381934216985763 cell 0.002700049091801669 mechanism 0.0
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