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Application

Discovery Studio 0.8356332413370132 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06897253306205493 Amorphous Cell 0.291353001017294 Blends 0.0022380467955239063 CASTEP 0.3806714140386572 CDOCKER 0.14242115971515767 CHARMm 0.2301119023397762 COMPASS 0.3619532044760936 COMPASS III 0.09725330620549338 COSMObase 0.003662258392675483 COSMOconf 0.006510681586978637 COSMOmic 0.0 COSMOperm 0.0012207527975584944 COSMOplex 4.069175991861648E-4 COSMOquick 8.138351983723296E-4 COSMOtherm 0.07019328585961343 Cantera 0.0 Catalyst 0.09094608341810784 Classical Simulations 1.0 Conformers 6.103763987792472E-4 Crystallization 0.07670396744659207 DFTB Plus 0.006307222787385555 DMol3 0.16826042726347915 DPD 0.002644964394710071 Discover 0.0038657171922685655 Forcite 0.5609359104781282 GULP 0.017700915564598168 Kinetix 4.069175991861648E-4 LUDI 0.003662258392675483 LibDock 0.05859613428280773 LigandFit 0.0032553407934893183 MCSS 4.069175991861648E-4 MODELER 0.20508646998982705 MesoDyn 4.069175991861648E-4 Mesocite 0.0032553407934893183 Mesoscale 0.00590030518819939 Morphology 0.01790437436419125 ONETEP 0.0016276703967446592 Polymorph 0.0016276703967446592 QMERA 0.0 QSAR 8.138351983723296E-4 Quantum Mechanics 0.5401831129196337 Reflex 0.055544252288911494 Reflex Plus 6.103763987792472E-4 Semi-empirical 0.007934893184130213 Sorption 0.06002034587995931 Synthia 0.0014242115971515768 TURBOMOLE 8.138351983723296E-4 VAMP 0.0012207527975584944 Visualization 0.7017293997965413 X-Cell 0.0014242115971515768 ZDOCK 0.02461851475076297

Year

2023 0.10899814471243043 2024 0.4049165120593692 2025 1.0 2026 0.496134817563389 2027 0.0

Keywords

target 1.0 potential 0.28431748466257667 analysis 0.19804447852760737 docking 0.19277223926380369 visualization 0.16545245398773006 between 0.15634585889570551 energy 0.09327070552147239 novel 0.09049079754601227 promising 0.0700728527607362 cell 0.06662193251533742 binding 0.05799463190184049 performance 0.047354294478527605 activity 0.0441909509202454 stability 0.04093174846625767 experimental 0.029428680981595092 synthesized 0.02338957055214724 including 0.020417944785276074 mechanism 0.018117331288343558 effective 0.016583588957055216 interaction 0.01629601226993865 development 0.014378834355828221 enhanced 0.01246165644171779 strong 0.00325920245398773 design 0.002013036809815951 synthesis 0.0
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