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Application

Discovery Studio 1.0 Materials Studio 0.7101299773055498 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06894049346879536 Amorphous Cell 0.22968069666182875 Blends 0.003265602322206096 CASTEP 0.408200290275762 CDOCKER 0.2155297532656023 CHARMm 0.34615384615384615 COMPASS 0.3613933236574746 COMPASS III 0.03701015965166909 COSMObase 7.25689404934688E-4 COSMOconf 3.62844702467344E-4 COSMOmic 3.62844702467344E-4 COSMOperm 0.0010885341074020319 COSMOplex 0.0 COSMOquick 0.001451378809869376 COSMOtherm 0.050435413642960815 Catalyst 0.14550072568940495 Classical Simulations 1.0 Conformers 0.001451378809869376 Crystallization 0.07474600870827286 DFTB Plus 0.00544267053701016 DMol3 0.19448476052249636 DPD 0.002902757619738752 Discover 0.0047169811320754715 Forcite 0.46335268505079824 GULP 0.031204644412191583 Kinetix 0.0 LUDI 0.00362844702467344 LibDock 0.09216255442670537 LigandFit 0.006531204644412192 MCSS 0.0010885341074020319 MODELER 0.3276487663280116 MesoDyn 0.0025399129172714078 Mesocite 0.0039912917271407835 Mesoscale 0.008708272859216255 Morphology 0.013788098693759071 ONETEP 0.001451378809869376 Polymorph 0.001451378809869376 QMERA 0.0 QSAR 0.0010885341074020319 Quantum Mechanics 0.5903483309143687 Reflex 0.05878084179970972 Semi-empirical 0.007982583454281567 Sorption 0.04753265602322206 Synthia 0.0010885341074020319 TURBOMOLE 7.25689404934688E-4 VAMP 0.00181422351233672 Visualization 0.9981857764876633 X-Cell 3.62844702467344E-4 ZDOCK 0.036284470246734396

Year

2024 0.0

Keywords

target 1.0 potential 0.29907317747959605 docking 0.2703001798312353 visualization 0.2105408770231014 analysis 0.20044266150228246 between 0.14372665652234057 novel 0.10665375570618343 binding 0.09116060312629685 activity 0.07082584036519574 energy 0.04440448194771061 interaction 0.04440448194771061 promising 0.043712823350394246 protein 0.04011619864434915 cell 0.026006363259095312 stability 0.017983123530225482 synthesized 0.017291464932909117 synthesis 0.015354820860423295 effective 0.014386498824180385 mechanism 0.013141513349010928 development 0.010651542398672015 including 0.005533268778530917 vitro 0.005394937059067644 experimental 0.005256605339604372 silico 0.0029049661087287315 compound 0.0
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