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Application

Discovery Studio 1.0 Materials Studio 0.8590998043052838 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05463879721305464 Amorphous Cell 0.264026402640264 Blends 0.0018335166850018336 CASTEP 0.27686101943527686 CDOCKER 0.18811881188118812 CHARMm 0.297029702970297 COMPASS 0.3270993766043271 COMPASS III 0.10891089108910891 COSMObase 0.004033736707004034 COSMOconf 0.005867253392005867 COSMOmic 0.0 COSMOperm 3.667033370003667E-4 COSMOplex 3.667033370003667E-4 COSMOquick 3.667033370003667E-4 COSMOtherm 0.058672533920058674 Catalyst 0.08287495416208288 Classical Simulations 1.0 Conformers 3.667033370003667E-4 Crystallization 0.07260726072607261 DFTB Plus 0.0033003300330033004 DMol3 0.1331133113311331 DPD 0.0018335166850018336 Discover 0.003667033370003667 Forcite 0.5053171983865054 GULP 0.013934726806013934 Kinetix 0.0 LUDI 0.0029336266960029336 LibDock 0.07444077741107444 LigandFit 0.004033736707004034 MODELER 0.27356068940227357 Mesocite 0.0033003300330033004 Mesoscale 0.004767143381004767 Morphology 0.016134946828016136 ONETEP 7.334066740007334E-4 Polymorph 0.002566923359002567 QMERA 3.667033370003667E-4 Quantum Mechanics 0.4041070773744041 Reflex 0.05243857719105244 Reflex Plus 7.334066740007334E-4 Semi-empirical 0.004767143381004767 Sorption 0.0594059405940594 Synthia 7.334066740007334E-4 TURBOMOLE 0.0 VAMP 3.667033370003667E-4 Visualization 0.727906123945728 X-Cell 0.0014668133480014668 ZDOCK 0.030436376971030438

Year

2024 0.1642281277993431 2025 1.0 2026 0.9629740220961481 2027 0.0

Keywords

target 1.0 potential 0.33370577281191804 docking 0.2541899441340782 analysis 0.23631284916201117 visualization 0.17970204841713222 between 0.13389199255121043 promising 0.09608938547486033 novel 0.0925512104283054 binding 0.08677839851024209 activity 0.05810055865921788 energy 0.057541899441340784 cell 0.05661080074487896 stability 0.03445065176908752 including 0.02905027932960894 strong 0.02346368715083799 performance 0.022532588454376164 development 0.014338919925512105 synthesized 0.013966480446927373 effective 0.011731843575418994 mechanism 0.010986964618249535 enhanced 0.00856610800744879 therapeutic 0.00782122905027933 protein 0.0059590316573556795 strategy 0.0052141527001862194 interaction 0.0
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