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Application

Discovery Studio 1.0 Materials Studio 0.9298737727910238 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05807783018867924 Amorphous Cell 0.2762382075471698 Blends 0.002063679245283019 CASTEP 0.310436320754717 CDOCKER 0.1715801886792453 CHARMm 0.28360849056603776 COMPASS 0.33048349056603776 COMPASS III 0.10495283018867925 COSMObase 0.004422169811320755 COSMOconf 0.007370283018867925 COSMOmic 0.0 COSMOperm 5.896226415094339E-4 COSMOplex 2.9481132075471697E-4 COSMOquick 8.84433962264151E-4 COSMOtherm 0.06485849056603774 Catalyst 0.07989386792452831 Classical Simulations 1.0 Conformers 2.9481132075471697E-4 Crystallization 0.07075471698113207 DFTB Plus 0.002063679245283019 DMol3 0.14357311320754718 DPD 0.0011792452830188679 Discover 0.004422169811320755 Forcite 0.5165094339622641 GULP 0.016804245283018868 Kinetix 0.0 LUDI 0.004422169811320755 LibDock 0.07517688679245282 LigandFit 0.0038325471698113208 MCSS 5.896226415094339E-4 MODELER 0.2653301886792453 MesoDyn 5.896226415094339E-4 Mesocite 0.003242924528301887 Mesoscale 0.0050117924528301884 Morphology 0.016804245283018868 ONETEP 5.896226415094339E-4 Polymorph 0.001474056603773585 QMERA 0.0 QSAR 5.896226415094339E-4 Quantum Mechanics 0.44487028301886794 Reflex 0.05159198113207547 Reflex Plus 0.0 Semi-empirical 0.003537735849056604 Sorption 0.05336084905660377 Synthia 8.84433962264151E-4 TURBOMOLE 0.0 VAMP 8.84433962264151E-4 Visualization 0.7160966981132075 X-Cell 0.001768867924528302 ZDOCK 0.03272405660377359

Year

2024 0.2957810718358039 2025 1.0 2026 0.7375142531356899 2027 0.0

Keywords

target 1.0 potential 0.3179215574005153 docking 0.23146292585170342 analysis 0.21815058688806183 visualization 0.16676209561981106 between 0.1389922702547953 novel 0.09862582307472087 promising 0.08617234468937876 binding 0.07901517320354996 energy 0.06269682221586029 cell 0.058259375894646435 activity 0.05038648726023476 stability 0.03836243916404237 performance 0.026767821356999715 including 0.024191239622101346 strong 0.017320354995705698 development 0.015316346979673634 effective 0.01359862582307472 mechanism 0.010306326939593472 synthesized 0.007729745204695104 enhanced 0.007300314915545376 experimental 0.00429430289149728 interaction 0.0035785857429144 protein 0.0028628685943315204 therapeutic 0.0
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