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Application

Discovery Studio 1.0 Materials Studio 0.4685421994884911 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0665380906460945 Amorphous Cell 0.171648987463838 Blends 9.643201542912247E-4 CASTEP 0.3365477338476374 CDOCKER 0.2304725168756027 CHARMm 0.3944069431051109 COMPASS 0.19768563162970107 COMPASS III 0.05303760848601736 COSMObase 0.0048216007714561235 COSMOconf 0.0028929604628736743 COSMOmic 0.0 COSMOperm 9.643201542912247E-4 COSMOtherm 0.06171648987463838 Catalyst 0.10414657666345227 Classical Simulations 0.8428158148505304 Conformers 0.0 Crystallization 0.03471552555448409 DFTB Plus 0.0028929604628736743 DMol3 0.12921890067502412 DPD 0.0 Discover 0.0019286403085824494 Forcite 0.3037608486017358 GULP 0.01832208293153327 LUDI 0.008678881388621022 LibDock 0.09257473481195758 LigandFit 0.0 MODELER 0.4108003857280617 Mesocite 0.003857280617164899 Mesoscale 0.0048216007714561235 Morphology 0.007714561234329798 Polymorph 0.0019286403085824494 QMERA 0.0 QSAR 9.643201542912247E-4 Quantum Mechanics 0.4570877531340405 Reflex 0.023143683702989394 Semi-empirical 0.003857280617164899 Sorption 0.03182256509161042 Visualization 1.0 X-Cell 0.0019286403085824494 ZDOCK 0.03085824493731919

Year

2024 0.24972004479283313 2025 1.0 2026 0.46808510638297873 2027 0.0

Keywords

analysis 1.0 target 0.8984771573604061 potential 0.43693869582194456 docking 0.41155798516204606 visualization 0.21163607965638423 binding 0.1772745021475986 between 0.13861772745021475 promising 0.10464662241311988 novel 0.08082780163998438 stability 0.07497071456462319 activity 0.07223740726278798 therapeutic 0.06833268254588051 including 0.06286606794221007 strong 0.05818039828192113 protein 0.05466614603670441 silico 0.04099960952752831 interaction 0.02889496290511519 energy 0.018742678641155797 development 0.007809449433814916 treatment 0.005857087075361187 effective 0.004685669660288949 vitro 0.0023428348301444747 mechanism 0.001952362358453729 compound 3.904724716907458E-4 inhibition 0.0
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