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Application

Discovery Studio 1.0 Materials Studio 0.14183307731694828 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014360938247965534 Amorphous Cell 0.027764480612733365 CASTEP 0.07850646242221158 CDOCKER 0.2651986596457635 CHARMm 0.3398755385351843 COMPASS 0.04451890856869316 COMPASS III 0.015318334131163236 COSMObase 0.0014360938247965534 COSMOconf 0.0014360938247965534 COSMOperm 0.0 COSMOtherm 0.022498803255146003 Catalyst 0.1646720919100048 Classical Simulations 0.44423168980373384 Conformers 0.0 Crystallization 0.019626615605552896 DMol3 0.0880804212541886 DPD 0.0 Discover 4.786979415988511E-4 Forcite 0.07180469123982768 GULP 0.0028721876495931067 LUDI 0.003350885591191958 LibDock 0.1038774533269507 LigandFit 0.007659167065581618 MCSS 4.786979415988511E-4 MODELER 0.29056965055050266 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0019147917663954045 Polymorph 0.0 QMERA 4.786979415988511E-4 QSAR 0.0 Quantum Mechanics 0.16323599808520822 Reflex 0.01723312589755864 Semi-empirical 4.786979415988511E-4 Sorption 0.003829583532790809 Visualization 1.0 ZDOCK 0.03446625179511728

Year

2021 0.0 2022 0.24005394470667565 2023 0.3648010788941335 2024 1.0 2025 0.8624409979770735 2026 0.049224544841537425

Keywords

activity 1.0 target 0.9647739221871714 docking 0.4868559411146162 potential 0.39668769716088326 visualization 0.3404311251314406 analysis 0.22975814931650893 binding 0.1598317560462671 novel 0.15772870662460567 vitro 0.12907465825446898 compound 0.09831756046267087 inhibition 0.09069400630914827 promising 0.0859621451104101 silico 0.08543638275499474 synthesis 0.08464773922187172 protein 0.07860147213459516 synthesized 0.07781282860147214 between 0.04810725552050473 potent 0.03838065194532071 treatment 0.029705573080967402 active 0.019453207150368034 drug 0.016824395373291272 development 0.015772870662460567 effective 0.007886435331230283 therapeutic 0.005257623554153523 enzyme 0.0
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