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Application

Discovery Studio 1.0 Materials Studio 0.9059925093632959 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05953827460510328 Amorphous Cell 0.2692588092345079 Blends 0.002430133657351154 CASTEP 0.31057108140947753 CDOCKER 0.18055893074119075 CHARMm 0.2899149453219927 COMPASS 0.32976913730255164 COMPASS III 0.10376670716889429 COSMObase 0.005103280680437424 COSMOconf 0.0053462940461725394 COSMOmic 0.0 COSMOperm 4.860267314702309E-4 COSMOplex 2.4301336573511544E-4 COSMOquick 9.720534629404617E-4 COSMOtherm 0.06318347509113001 Catalyst 0.08286755771567436 Classical Simulations 1.0 Conformers 4.860267314702309E-4 Crystallization 0.07266099635479951 DFTB Plus 0.0031591737545565005 DMol3 0.1467800729040097 DPD 0.0026731470230862697 Discover 0.004860267314702308 Forcite 0.5098420413122722 GULP 0.01603888213851762 Kinetix 2.4301336573511544E-4 LUDI 0.004374240583232078 LibDock 0.07509113001215066 LigandFit 0.004617253948967193 MCSS 2.4301336573511544E-4 MODELER 0.27047387606318346 MesoDyn 4.860267314702309E-4 Mesocite 0.0031591737545565005 Mesoscale 0.006075334143377886 Modules 0.0 Morphology 0.016281895504252734 ONETEP 9.720534629404617E-4 Polymorph 0.002187120291616039 QMERA 2.4301336573511544E-4 QSAR 4.860267314702309E-4 Quantum Mechanics 0.44860267314702307 Reflex 0.052733900364520046 Reflex Plus 7.290400972053463E-4 Semi-empirical 0.004617253948967193 Sorption 0.05443499392466586 Synthia 7.290400972053463E-4 TURBOMOLE 0.0 VAMP 7.290400972053463E-4 Visualization 0.7339003645200486 X-Cell 0.0014580801944106927 ZDOCK 0.030376670716889428

Year

2024 0.41077648022946117 2025 1.0 2026 0.8354845318582258 2027 0.0

Keywords

target 1.0 potential 0.31912889935256034 docking 0.24249558563861096 analysis 0.22895821071218364 visualization 0.17563272513243083 between 0.14243672748675693 novel 0.09688051795173631 promising 0.09323131253678635 binding 0.08475573866980576 energy 0.06344908769864627 cell 0.05768098881695115 activity 0.05285462036492054 stability 0.04025897586815774 performance 0.029193643319599765 including 0.024367274867569157 synthesized 0.01753972925250147 development 0.0164802825191289 effective 0.015891701000588582 strong 0.015656268393172454 mechanism 0.013066509711595056 interaction 0.007416127133608005 enhanced 0.007062978222483814 protein 0.00659211300765156 experimental 0.00494408475573867 synthesis 0.0
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