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Application

Discovery Studio 1.0 Materials Studio 0.04916897506925208 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.012016021361815754 Amorphous Cell 0.012016021361815754 CASTEP 0.01602136181575434 CDOCKER 0.2136181575433912 CHARMm 0.3978638184245661 COMPASS 0.021361815754339118 COMPASS III 0.0053404539385847796 COSMOconf 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.006675567423230975 Catalyst 0.1628838451268358 Classical Simulations 0.46328437917222964 Conformers 0.0 Crystallization 0.0053404539385847796 DMol3 0.01335113484646195 Forcite 0.04672897196261682 GULP 0.0013351134846461949 LUDI 0.009345794392523364 LibDock 0.14018691588785046 LigandFit 0.012016021361815754 MODELER 0.2750333778371162 Morphology 0.0 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.028037383177570093 Reflex 0.0026702269692923898 Sorption 0.0026702269692923898 Visualization 1.0 ZDOCK 0.04138851802403204

Year

2022 0.06133828996282528 2023 0.5148698884758365 2024 1.0 2025 0.9721189591078067 2026 0.0

Keywords

therapeutic 1.0 target 0.9587118084227911 potential 0.6672171758876961 docking 0.5466556564822461 visualization 0.3542526837324525 analysis 0.319570602807597 binding 0.24277456647398843 treatment 0.18662262592898432 promising 0.17341040462427745 novel 0.1676300578034682 drug 0.14698596201486375 protein 0.1263418662262593 activity 0.09991742361684558 vitro 0.08918249380677126 development 0.0611065235342692 including 0.05037159372419488 silico 0.037985136251032205 inhibition 0.03137902559867878 between 0.02559867877786953 targeting 0.02559867877786953 interaction 0.023121387283236993 compound 0.022295623451692816 effective 0.014037985136251032 stability 0.007431874483897605 disease 0.0
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