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Application

Discovery Studio 1.0 Materials Studio 0.11854838709677419 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014976958525345621 Amorphous Cell 0.04608294930875576 Blends 7.680491551459293E-4 CASTEP 0.059907834101382486 CDOCKER 0.22772657450076805 CHARMm 0.3663594470046083 COMPASS 0.07795698924731183 COMPASS III 0.009216589861751152 COSMObase 3.8402457757296467E-4 COSMOconf 0.0 COSMOperm 3.8402457757296467E-4 COSMOquick 0.0 COSMOtherm 0.010368663594470046 Catalyst 0.15399385560675882 Classical Simulations 0.5057603686635944 Crystallization 0.013440860215053764 DFTB Plus 0.002688172043010753 DMol3 0.02534562211981567 DPD 7.680491551459293E-4 Forcite 0.09178187403993855 GULP 0.006144393241167435 LUDI 0.0038402457757296467 LibDock 0.09754224270353302 LigandFit 0.0069124423963133645 MCSS 0.001152073732718894 MODELER 0.3467741935483871 MesoDyn 7.680491551459293E-4 Mesocite 0.0 Mesoscale 0.0019201228878648233 Morphology 0.002304147465437788 ONETEP 0.0 Polymorph 3.8402457757296467E-4 Quantum Mechanics 0.08410138248847926 Reflex 0.009984639016897081 Semi-empirical 0.0030721966205837174 Sorption 0.009984639016897081 Synthia 3.8402457757296467E-4 TURBOMOLE 3.8402457757296467E-4 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03840245775729647

Year

2024 0.0

Keywords

target 1.0 docking 0.49824638316527836 potential 0.40311266988163086 visualization 0.3730819815870232 analysis 0.2650153441473038 binding 0.19245944761069705 activity 0.14686540990793512 novel 0.1429197720298115 protein 0.13327487943884261 between 0.0927224901359053 vitro 0.07606313020604998 silico 0.07474791758000877 promising 0.058746163963174045 drug 0.05677334502411223 interaction 0.047128452433143356 compound 0.04515563349408154 therapeutic 0.04077159140727751 synthesis 0.040333187198597104 treatment 0.037921964050854885 inhibition 0.03244191144234985 development 0.01819377466023674 synthesized 0.016220955721174924 including 0.0054800526085050415 potent 0.003726435773783428 effective 0.0
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