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Application

Discovery Studio 1.0 Materials Studio 0.017496635262449527 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00234192037470726 Amorphous Cell 0.0 CASTEP 0.00234192037470726 CDOCKER 0.117096018735363 CHARMm 0.3372365339578454 COMPASS 0.0117096018735363 COMPASS III 0.0 COSMOtherm 0.00702576112412178 Catalyst 0.15690866510538642 Classical Simulations 0.3629976580796253 DMol3 0.0117096018735363 Forcite 0.01639344262295082 Kinetix 0.0 LUDI 0.00468384074941452 LibDock 0.04215456674473068 LigandFit 0.01405152224824356 MODELER 0.2459016393442623 Quantum Mechanics 0.01405152224824356 Sorption 0.0 Visualization 1.0 ZDOCK 0.00702576112412178

Year

2024 0.5278350515463918 2025 1.0 2026 0.0

Keywords

silico 1.0 target 0.9658536585365853 docking 0.6715447154471544 potential 0.608130081300813 visualization 0.4504065040650406 analysis 0.383739837398374 vitro 0.3170731707317073 binding 0.3008130081300813 activity 0.191869918699187 promising 0.1772357723577236 inhibition 0.12195121951219512 therapeutic 0.11869918699186992 novel 0.1008130081300813 drug 0.0991869918699187 protein 0.0959349593495935 compound 0.08943089430894309 synthesized 0.061788617886178863 synthesis 0.056910569105691054 including 0.05203252032520325 potent 0.03414634146341464 stability 0.01951219512195122 strong 0.01951219512195122 binding affinity 0.01788617886178862 treatment 0.014634146341463415 development 0.0
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