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Application

Discovery Studio 1.0 Materials Studio 0.609172482552343 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05178663904712584 Amorphous Cell 0.1320559295701709 Blends 0.0036250647332988087 CASTEP 0.3454168824443294 CDOCKER 0.21284308648368722 CHARMm 0.25220093215950284 COMPASS 0.26929052304505435 COMPASS III 0.0031071983428275505 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0015535991714137752 COSMOquick 0.0015535991714137752 COSMOtherm 0.04557224236147074 Catalyst 0.0735370274469187 Classical Simulations 0.7208700155359917 Conformers 5.178663904712584E-4 Crystallization 0.053340238218539615 DFTB Plus 0.0036250647332988087 DMol3 0.16002071465561885 DPD 0.004142931123770067 Discover 0.008803728638011392 Forcite 0.27084412221646814 GULP 0.027964785085447953 LUDI 0.009321595028482652 LibDock 0.07198342827550493 LigandFit 0.017089590885551526 MCSS 0.004660797514241326 MODELER 0.2812014500258933 MesoDyn 0.0031071983428275505 Mesocite 0.004660797514241326 Mesoscale 0.009321595028482652 Morphology 0.018125323666494046 ONETEP 0.0015535991714137752 Polymorph 0.0010357327809425167 QMERA 0.0 QSAR 5.178663904712584E-4 Quantum Mechanics 0.4893837389953392 Reflex 0.033143448990160536 Reflex Plus 0.0015535991714137752 Semi-empirical 0.010357327809425169 Sorption 0.024857586742620404 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.005696530295183843 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03469704816157431

Year

2021 0.0

Keywords

target 1.0 visualization 0.28784403669724773 docking 0.25 potential 0.1974770642201835 analysis 0.14587155963302753 between 0.1415137614678899 novel 0.09678899082568808 binding 0.08761467889908257 activity 0.07522935779816514 protein 0.05114678899082569 interaction 0.04862385321100918 well 0.03371559633027523 experimental 0.031192660550458717 synthesized 0.025688073394495414 drug 0.023853211009174313 compound 0.01834862385321101 energy 0.01743119266055046 synthesis 0.01651376146788991 cell 0.015366972477064221 inhibition 0.009862385321100918 mechanism 0.008944954128440367 chemical 0.0045871559633027525 vitro 0.0034403669724770644 silico 0.002522935779816514 treatment 0.0
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