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Application

Discovery Studio 1.0 Materials Studio 0.005928853754940711 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0 CASTEP 0.0 CDOCKER 0.14391143911439114 CHARMm 0.4022140221402214 COMPASS 0.0 COSMOtherm 0.0 Catalyst 0.14760147601476015 Classical Simulations 0.4095940959409594 DMol3 0.0 Forcite 0.0 LUDI 0.01107011070110701 LibDock 0.055350553505535055 LigandFit 0.0036900369003690036 MODELER 0.30996309963099633 Quantum Mechanics 0.0036900369003690036 Visualization 1.0 ZDOCK 0.02214022140221402

Year

2024 0.19184652278177458 2025 1.0 2026 0.0

Keywords

silico 1.0 target 0.9464720194647201 docking 0.656934306569343 potential 0.5742092457420924 visualization 0.4209245742092457 analysis 0.39659367396593675 vitro 0.2798053527980535 binding 0.2725060827250608 activity 0.21654501216545013 promising 0.1411192214111922 protein 0.12408759124087591 therapeutic 0.1192214111922141 novel 0.0948905109489051 inhibition 0.0851581508515815 compound 0.0827250608272506 strong 0.06569343065693431 drug 0.0535279805352798 including 0.051094890510948905 stability 0.043795620437956206 synthesized 0.029197080291970802 efficacy 0.012165450121654502 binding affinity 0.009732360097323601 potent 0.009732360097323601 synthesis 0.009732360097323601 admet 0.0
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