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Application

Discovery Studio 0.7245322245322245 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06717363751584284 Amorphous Cell 0.33840304182509506 Blends 0.0025348542458808617 CASTEP 0.3060836501901141 CDOCKER 0.1185044359949303 CHARMm 0.21039290240811154 COMPASS 0.38149556400506973 COMPASS III 0.10646387832699619 COSMObase 6.337135614702154E-4 COSMOconf 0.0031685678073510772 COSMOmic 0.0 COSMOperm 6.337135614702154E-4 COSMOplex 0.0 COSMOtherm 0.053231939163498096 Catalyst 0.042458808618504436 Classical Simulations 1.0 Crystallization 0.050063371356147024 DFTB Plus 0.0019011406844106464 DMol3 0.15082382762991128 DPD 0.0012674271229404308 Discover 0.005069708491761723 Forcite 0.5665399239543726 GULP 0.025982256020278833 LUDI 0.0012674271229404308 LibDock 0.05449936628643853 LigandFit 6.337135614702154E-4 MODELER 0.21102661596958175 MesoDyn 0.0012674271229404308 Mesocite 0.0012674271229404308 Mesoscale 0.005069708491761723 Modules 0.0 Morphology 0.017110266159695818 ONETEP 6.337135614702154E-4 Polymorph 6.337135614702154E-4 QMERA 6.337135614702154E-4 QSAR 0.0 Quantum Mechanics 0.44423320659062104 Reflex 0.030418250950570342 Reflex Plus 0.0 Semi-empirical 0.0031685678073510772 Sorption 0.059569074778200254 Synthia 6.337135614702154E-4 Visualization 0.49429657794676807 ZDOCK 0.031051964512040557

Year

2024 0.3880855986119144 2025 1.0 2026 0.6778484673221515 2027 0.0

Keywords

between 1.0 target 0.910813459653708 potential 0.25383861483175435 analysis 0.2188827180659915 docking 0.18915387128389416 interaction 0.16399869323750407 energy 0.11074812152891211 visualization 0.08951323097027115 cell 0.08493956223456386 binding 0.0793858216269193 performance 0.07840574975498203 stability 0.059131002940215616 novel 0.057497549820320154 mechanism 0.057170859196341066 experimental 0.05194380921267559 strong 0.04246978111728193 promising 0.035282587389741916 enhanced 0.031688990525971905 amorphous 0.01274093433518458 including 0.011434171839268212 development 0.006860503103560928 effective 0.006860503103560928 role 0.004573668735707285 activity 0.004246978111728194 surface 0.0
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