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Application

Discovery Studio 1.0 Materials Studio 0.22703733987462524 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.02001703577512777 Amorphous Cell 0.0706984667802385 Blends 0.0017035775127768314 CASTEP 0.10562180579216354 CDOCKER 0.17759795570698467 CHARMm 0.27385008517887566 COMPASS 0.1260647359454855 COMPASS III 0.009369676320272573 COSMOplex 0.0 COSMOquick 4.2589437819420784E-4 COSMOtherm 0.014480408858603067 Catalyst 0.19165247018739354 Classical Simulations 0.4791311754684838 Conformers 0.0 Crystallization 0.022572402044293016 DFTB Plus 8.517887563884157E-4 DMol3 0.05110732538330494 DPD 8.517887563884157E-4 Discover 0.0017035775127768314 Forcite 0.14565587734241908 GULP 0.006388415672913117 LUDI 0.0068143100511073255 LibDock 0.07240204429301533 LigandFit 0.0068143100511073255 MCSS 4.2589437819420784E-4 MODELER 0.07367972742759796 MesoDyn 0.0 Mesocite 8.517887563884157E-4 Mesoscale 0.0017035775127768314 Morphology 0.005536626916524702 ONETEP 8.517887563884157E-4 QSAR 0.0 Quantum Mechanics 0.15289608177172062 Reflex 0.017035775127768313 Semi-empirical 0.0012776831345826234 Sorption 0.011499148211243612 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.02768313458262351

Year

2023 0.0

Keywords

target 1.0 visualization 0.4390992835209826 docking 0.43705220061412486 potential 0.29273285568065505 analysis 0.20394063459570114 binding 0.15788126919140225 novel 0.131525076765609 activity 0.13101330603889458 protein 0.12589559877175024 between 0.10542476970317298 interaction 0.08085977482088025 silico 0.07881269191402251 vitro 0.07548618219037871 drug 0.06806550665301944 compound 0.06371545547594677 synthesized 0.053991811668372566 synthesis 0.05168884339815762 inhibition 0.047338792221084953 treatment 0.03428863868986694 development 0.02456499488229273 cell 0.014841351074718526 promising 0.013050153531218014 mechanism 0.011003070624360286 active 0.0040941658137154556 effective 0.0
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