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Application

Discovery Studio 1.0 Materials Studio 0.01235657546337158 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0035211267605633804 CASTEP 8.802816901408451E-4 CDOCKER 0.2438380281690141 CHARMm 0.41813380281690143 COMPASS 0.002640845070422535 COMPASS III 0.0035211267605633804 COSMOtherm 0.0017605633802816902 Catalyst 0.1311619718309859 Classical Simulations 0.43133802816901406 Crystallization 0.002640845070422535 DMol3 0.008802816901408451 Forcite 0.007042253521126761 LUDI 0.0044014084507042256 LibDock 0.10123239436619719 LigandFit 0.002640845070422535 MODELER 0.3573943661971831 Polymorph 0.0 Quantum Mechanics 0.01056338028169014 Reflex 0.0017605633802816902 Sorption 8.802816901408451E-4 Visualization 1.0 X-Cell 8.802816901408451E-4 ZDOCK 0.03433098591549296

Year

2024 0.0747800586510264 2025 1.0 2026 0.0

Keywords

docking 1.0 target 0.9549158066268333 potential 0.5757740358500815 analysis 0.3959804454101032 visualization 0.3704508419337317 binding 0.3367734926670288 activity 0.16132536664856056 novel 0.1347093970668115 promising 0.12710483432916894 therapeutic 0.12656165127648017 silico 0.12330255296034763 protein 0.11895708853883759 vitro 0.08908202064095601 inhibition 0.08690928843020097 compound 0.07007061379684953 including 0.06355241716458447 between 0.06246605105920695 strong 0.053231939163498096 drug 0.037479630635524175 interaction 0.035850081477457905 synthesis 0.025529603476371537 synthesized 0.021184139054861488 stability 0.017381857686040194 treatment 0.009234111895708854 development 0.0
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