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Application

Discovery Studio 1.0 Materials Studio 0.14867398874899546 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.020113460546673543 Amorphous Cell 0.05673027333677153 Blends 5.157297576070139E-4 CASTEP 0.0778751933986591 CDOCKER 0.23414130995358431 CHARMm 0.3847343991748324 COMPASS 0.0892212480660134 COMPASS III 0.008767405879319236 COSMOperm 5.157297576070139E-4 COSMOtherm 0.010830324909747292 Catalyst 0.14234141309953585 Classical Simulations 0.5523465703971119 Crystallization 0.018566271273852502 DFTB Plus 0.0015471892728210418 DMol3 0.030943785456420837 DPD 0.0010314595152140279 Forcite 0.11346054667354306 GULP 0.006704486848891181 LUDI 0.0046415678184631255 LibDock 0.1000515729757607 LigandFit 0.007220216606498195 MCSS 0.0015471892728210418 MODELER 0.35327488396080453 MesoDyn 5.157297576070139E-4 Mesocite 5.157297576070139E-4 Mesoscale 0.0025786487880350697 Morphology 0.0046415678184631255 ONETEP 0.0 Quantum Mechanics 0.10830324909747292 Reflex 0.013408973697782363 Semi-empirical 0.0025786487880350697 Sorption 0.010830324909747292 TURBOMOLE 0.0 VAMP 5.157297576070139E-4 Visualization 1.0 ZDOCK 0.0407426508509541

Year

2024 0.0

Keywords

target 1.0 docking 0.4752670039347948 potential 0.4058459808881394 visualization 0.3518830803822372 analysis 0.25491849353569423 binding 0.18381112984822934 novel 0.1329398538504778 activity 0.1315345699831366 protein 0.12310286677908938 between 0.09499718943226532 vitro 0.06745362563237774 promising 0.06239460370994941 silico 0.05874086565486228 synthesis 0.04581225407532322 compound 0.045531197301854974 drug 0.04356379988757729 interaction 0.040753232152894885 therapeutic 0.03906689151208544 treatment 0.03709949409780776 inhibition 0.02951096121416526 synthesized 0.022203485103991005 development 0.016301292861157952 including 0.008431703204047217 effective 0.007307476110174255 potent 0.0
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