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Application

Discovery Studio 0.8847275518035304 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07148777455449648 Amorphous Cell 0.2874015748031496 Blends 0.0024865312888520514 CASTEP 0.40489017820140905 CDOCKER 0.14960629921259844 CHARMm 0.2360132615002072 COMPASS 0.3684210526315789 COMPASS III 0.0855781185246581 COSMObase 0.0031081641110650643 COSMOconf 0.005387484459179445 COSMOmic 0.0 COSMOperm 0.0010360547036883548 COSMOplex 2.0721094073767094E-4 COSMOquick 8.288437629506838E-4 COSMOtherm 0.0692084542063821 Cantera 0.0 Catalyst 0.11686697057604642 Classical Simulations 1.0 Conformers 6.216328222130128E-4 Crystallization 0.07728968089515126 DFTB Plus 0.006216328222130129 DMol3 0.17654372150849565 DPD 0.0024865312888520514 Discover 0.002900953170327393 Forcite 0.5544964774140074 GULP 0.020513883133029424 Kinetix 2.0721094073767094E-4 LUDI 0.00435142975549109 LibDock 0.061956071280563615 LigandFit 0.0045586406962287605 MCSS 6.216328222130128E-4 MODELER 0.18296726067136346 MesoDyn 6.216328222130128E-4 Mesocite 0.003522585992540406 Mesoscale 0.0064235391628678 Morphology 0.018856195607128055 ONETEP 0.0014504765851636966 Polymorph 0.0012432656444260257 QMERA 0.0 QSAR 0.0010360547036883548 Quantum Mechanics 0.5727310401989225 Reflex 0.055946953999171156 Reflex Plus 4.144218814753419E-4 Semi-empirical 0.00849564857024451 Sorption 0.056154164939908824 Synthia 0.0016576875259013675 TURBOMOLE 8.288437629506838E-4 VAMP 0.0018648984666390386 Visualization 0.7731040198922503 X-Cell 0.0010360547036883548 ZDOCK 0.02590136759220887

Year

2022 7.06090026478376E-4 2023 0.3205648720211827 2024 0.6510150044130627 2025 1.0 2026 0.37440423654015886 2027 0.0

Keywords

target 1.0 potential 0.2741055745585652 docking 0.20181196265138207 analysis 0.1876675603217158 visualization 0.18452435980401222 between 0.15651289636683 novel 0.09198483867985578 energy 0.09059813256910419 cell 0.064343163538874 binding 0.06203198668762134 promising 0.05777942128131645 activity 0.047517796061754644 stability 0.03688638254599242 performance 0.035222335213090504 experimental 0.030692428584635296 synthesized 0.02884348710363317 interaction 0.026902098548580937 effective 0.01858186188407137 mechanism 0.018119626513820836 development 0.017380049921419987 including 0.014791531848017011 synthesis 0.007210871775908292 protein 0.005546824443006379 design 0.0019413885550522325 chemical 0.0
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