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Application

Discovery Studio 1.0 Materials Studio 0.005277044854881266 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0 CASTEP 0.0 CDOCKER 0.14251207729468598 CHARMm 0.38405797101449274 COMPASS 0.0 COSMOtherm 0.0024154589371980675 Catalyst 0.1642512077294686 Classical Simulations 0.3888888888888889 DMol3 0.0024154589371980675 Forcite 0.0 LUDI 0.00966183574879227 LibDock 0.05555555555555555 LigandFit 0.012077294685990338 MODELER 0.2971014492753623 Quantum Mechanics 0.004830917874396135 Visualization 1.0 ZDOCK 0.016908212560386472

Year

2024 0.11544227886056972 2025 1.0 2026 0.0

Keywords

silico 1.0 target 0.9624183006535948 docking 0.6748366013071896 potential 0.5849673202614379 visualization 0.42810457516339867 analysis 0.4068627450980392 vitro 0.2826797385620915 binding 0.28104575163398693 activity 0.2173202614379085 promising 0.15849673202614378 therapeutic 0.15522875816993464 protein 0.1111111111111111 novel 0.09803921568627451 inhibition 0.09313725490196079 compound 0.0784313725490196 strong 0.06699346405228758 including 0.06209150326797386 drug 0.05228758169934641 stability 0.03431372549019608 synthesized 0.027777777777777776 binding affinity 0.026143790849673203 potent 0.02287581699346405 synthesis 0.00980392156862745 treatment 0.004901960784313725 efficacy 0.0
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