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Application

Discovery Studio 1.0 Materials Studio 0.1036231884057971 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.01848998459167951 Amorphous Cell 0.02465331278890601 CASTEP 0.03852080123266564 CDOCKER 0.2573189522342065 CHARMm 0.514637904468413 COMPASS 0.04776579352850539 COMPASS III 0.01078582434514638 COSMOtherm 0.004622496147919877 Catalyst 0.1325115562403698 Classical Simulations 0.6209553158705701 Crystallization 0.015408320493066256 DFTB Plus 0.0 DMol3 0.05701078582434515 Forcite 0.07087827426810478 GULP 0.0015408320493066256 LUDI 0.004622496147919877 LibDock 0.07704160246533127 LigandFit 0.0030816640986132513 MODELER 0.4422187981510015 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0 Polymorph 0.0015408320493066256 QSAR 0.0 Quantum Mechanics 0.0970724191063174 Reflex 0.01078582434514638 Semi-empirical 0.0015408320493066256 Sorption 0.004622496147919877 VAMP 0.0 Visualization 1.0 ZDOCK 0.04468412942989214

Year

2024 0.08378588052754073 2025 1.0 2026 0.10473235065942592 2027 0.0

Keywords

binding 1.0 target 0.9506072874493927 docking 0.6526315789473685 potential 0.5303643724696356 analysis 0.3748987854251012 visualization 0.28825910931174087 protein 0.16275303643724695 promising 0.14493927125506073 strong 0.13765182186234817 activity 0.1319838056680162 therapeutic 0.11983805668016194 novel 0.11174089068825911 silico 0.09149797570850203 between 0.08987854251012145 interaction 0.08421052631578947 including 0.07449392712550608 stability 0.07125506072874493 inhibition 0.06639676113360324 vitro 0.05344129554655871 compound 0.04696356275303644 drug 0.029149797570850202 development 0.006477732793522267 synthesized 0.005668016194331984 treatment 0.0032388663967611335 potent 0.0
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