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Application

Discovery Studio 1.0 Materials Studio 0.004 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.004761904761904762 CASTEP 0.002380952380952381 CDOCKER 0.13095238095238096 CHARMm 0.36428571428571427 COMPASS 0.0 COMPASS III 0.0 COSMOtherm 0.009523809523809525 Catalyst 0.12857142857142856 Classical Simulations 0.37857142857142856 DMol3 0.0 Forcite 0.009523809523809525 LUDI 0.011904761904761904 LibDock 0.047619047619047616 LigandFit 0.002380952380952381 MCSS 0.0 MODELER 0.2976190476190476 Quantum Mechanics 0.004761904761904762 Visualization 1.0 ZDOCK 0.02619047619047619

Year

2024 0.6921348314606741 2025 1.0 2026 0.0

Keywords

silico 1.0 target 0.9625407166123778 docking 0.6579804560260586 potential 0.5667752442996743 visualization 0.4381107491856677 analysis 0.36807817589576547 vitro 0.2915309446254072 binding 0.2671009771986971 activity 0.19055374592833876 promising 0.11563517915309446 protein 0.11237785016286644 therapeutic 0.09771986970684039 novel 0.09283387622149837 drug 0.07980456026058631 inhibition 0.07980456026058631 compound 0.0749185667752443 including 0.04071661237785016 stability 0.03257328990228013 strong 0.030944625407166124 synthesis 0.02280130293159609 synthesized 0.02280130293159609 between 0.016286644951140065 potent 0.014657980456026058 treatment 0.013029315960912053 binding affinity 0.0
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