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Application

Discovery Studio 0.9925280199252802 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060560859188544154 Amorphous Cell 0.2753579952267303 Blends 0.002088305489260143 CASTEP 0.3120525059665871 CDOCKER 0.16885441527446302 CHARMm 0.2684964200477327 COMPASS 0.33920047732696895 COMPASS III 0.10531026252983293 COSMObase 0.0053699284009546535 COSMOconf 0.0062649164677804296 COSMOmic 0.0 COSMOperm 5.966587112171838E-4 COSMOplex 2.983293556085919E-4 COSMOquick 8.949880668257757E-4 COSMOtherm 0.0659307875894988 Catalyst 0.07726730310262529 Classical Simulations 1.0 Conformers 5.966587112171838E-4 Crystallization 0.07577565632458234 DFTB Plus 0.0029832935560859188 DMol3 0.14647971360381862 DPD 0.002386634844868735 Discover 0.004474940334128878 Forcite 0.524164677804296 GULP 0.015513126491646777 Kinetix 0.0 LUDI 0.004474940334128878 LibDock 0.06861575178997613 LigandFit 0.0032816229116945108 MODELER 0.25745823389021477 Mesocite 0.0029832935560859188 Mesoscale 0.005071599045346062 Morphology 0.017601431980906922 ONETEP 8.949880668257757E-4 Polymorph 0.002386634844868735 QMERA 2.983293556085919E-4 QSAR 2.983293556085919E-4 Quantum Mechanics 0.45167064439140814 Reflex 0.05459427207637232 Reflex Plus 5.966587112171838E-4 Semi-empirical 0.00477326968973747 Sorption 0.05817422434367542 Synthia 5.966587112171838E-4 TURBOMOLE 0.0 VAMP 8.949880668257757E-4 Visualization 0.6778042959427207 X-Cell 0.0014916467780429594 ZDOCK 0.027744630071599045

Year

2024 0.1809570075297547 2025 1.0 2026 0.9225163954335681 2027 0.0

Keywords

target 1.0 potential 0.31539519951077816 analysis 0.23024002446109157 docking 0.2270295061917138 visualization 0.1608316771135912 between 0.13820516740559546 promising 0.09707995719308975 novel 0.08851857514141569 binding 0.07812261122152576 energy 0.07185445650512154 cell 0.06207001987463691 activity 0.04831065586301789 stability 0.04479437394893747 performance 0.03929062834428986 including 0.025684146155022167 strong 0.025072618865616878 effective 0.017428527748050756 enhanced 0.014676654945726952 development 0.012994954899862406 synthesized 0.009937318452835959 experimental 0.0077969729399174435 mechanism 0.007644091117566121 strategy 0.005197981959944963 design 0.001070172756459257 interaction 0.0
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