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Application

Discovery Studio 1.0 Materials Studio 0.014207090746192244 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00434583714547118 Amorphous Cell 0.0020585544373284536 CASTEP 0.0013723696248856359 CDOCKER 0.19716376944190303 CHARMm 0.33096980786825253 COMPASS 0.0054894784995425435 COMPASS III 0.0018298261665141812 COSMOperm 0.0 COSMOtherm 6.861848124428179E-4 Catalyst 0.1697163769441903 Classical Simulations 0.3458371454711802 Crystallization 0.0016010978956999085 DMol3 0.007548032936870997 Forcite 0.008462946020128087 LUDI 0.004574565416285453 LibDock 0.08508691674290943 LigandFit 0.003888380603842635 MCSS 2.2872827081427266E-4 MODELER 0.24039341262580055 Polymorph 0.0 QSAR 4.574565416285453E-4 Quantum Mechanics 0.009149130832570906 Reflex 0.0013723696248856359 Sorption 4.574565416285453E-4 Visualization 1.0 X-Cell 4.574565416285453E-4 ZDOCK 0.0242451967063129

Year

2022 0.004766444232602479 2023 0.6987607244995233 2024 1.0 2025 0.7483317445185891 2026 0.0

Keywords

docking 1.0 target 0.9669651126891016 potential 0.4878048780487805 visualization 0.4533806730472368 analysis 0.35118863846866316 binding 0.29901204075331894 activity 0.1711948132139549 protein 0.15791911083667798 novel 0.14803951836986726 silico 0.1253473294226613 vitro 0.11160852114850263 compound 0.09895029330040137 drug 0.08783575177523927 between 0.08166100648348255 synthesis 0.07178141401667182 inhibition 0.07039209632602655 interaction 0.06715035504785427 promising 0.06468045693115158 synthesized 0.06097560975609756 therapeutic 0.056190182154986106 treatment 0.03056498919419574 including 0.017134918184624884 potent 0.010651435628280333 stability 0.0015436863229391787 development 0.0
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