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Application

Discovery Studio 1.0 Materials Studio 0.8050188763046857 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05990180032733224 Amorphous Cell 0.2725040916530278 Blends 0.0016366612111292963 CASTEP 0.33453355155482817 CDOCKER 0.18968903436988543 CHARMm 0.3044189852700491 COMPASS 0.3310965630114566 COMPASS III 0.08903436988543371 COSMObase 0.004582651391162029 COSMOconf 0.0044189852700491 COSMOmic 0.0 COSMOperm 6.546644844517185E-4 COSMOplex 1.6366612111292964E-4 COSMOquick 9.819967266775777E-4 COSMOtherm 0.05990180032733224 Catalyst 0.11653027823240589 Classical Simulations 1.0 Conformers 3.273322422258593E-4 Crystallization 0.06448445171849428 DFTB Plus 0.004582651391162029 DMol3 0.15237315875613747 DPD 0.002127659574468085 Discover 0.0029459901800327334 Forcite 0.5042553191489362 GULP 0.018821603927986905 Kinetix 0.0 LUDI 0.003927986906710311 LibDock 0.07872340425531915 LigandFit 0.004746317512274959 MCSS 4.909983633387888E-4 MODELER 0.27086743044189854 MesoDyn 8.183306055646482E-4 Mesocite 0.0024549918166939444 Mesoscale 0.005073649754500818 Modules 0.0 Morphology 0.016530278232405892 ONETEP 4.909983633387888E-4 Polymorph 0.0016366612111292963 QMERA 0.0 QSAR 6.546644844517185E-4 Quantum Mechanics 0.47708674304418985 Reflex 0.045990180032733224 Reflex Plus 9.819967266775777E-4 Semi-empirical 0.005891980360065467 Sorption 0.05220949263502455 Synthia 0.0011456628477905073 TURBOMOLE 3.273322422258593E-4 VAMP 9.819967266775777E-4 Visualization 0.8700490998363338 X-Cell 0.0014729950900163667 ZDOCK 0.03224222585924714

Year

2023 0.0 2024 0.4812981298129813 2025 1.0 2026 0.290979097909791

Keywords

target 1.0 potential 0.31319191486322406 docking 0.2613384758231555 analysis 0.21927005213913292 visualization 0.21327048067995144 between 0.14734661809870722 novel 0.11013499035783159 binding 0.09020784229697879 promising 0.07749446468109421 activity 0.06763802585529605 energy 0.06585243911149204 cell 0.05985286765231055 stability 0.037997285908149415 protein 0.028497964431112063 interaction 0.02814084708235126 including 0.024641097064495392 synthesized 0.023569745018212986 development 0.02156988786515249 mechanism 0.019570030712091995 effective 0.017498750089279338 performance 0.015784586815227482 experimental 0.014427540889936433 synthesis 0.012141989857867295 vitro 0.0033569030783515462 silico 0.0
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