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Application

Discovery Studio 1.0 Materials Studio 0.6538218572331017 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08641382621219396 Amorphous Cell 0.1200192030724916 Blends 4.8007681228996637E-4 CASTEP 0.2770043206913106 CDOCKER 0.18098895823331734 CHARMm 0.2414786365818531 COMPASS 0.24195871339414307 COMPASS III 0.04080652904464714 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 4.8007681228996637E-4 COSMOquick 0.0 COSMOtherm 0.020643302928468554 Catalyst 0.2443590974555929 Classical Simulations 0.7412385981757081 Conformers 9.601536245799327E-4 Crystallization 0.09985597695631301 DFTB Plus 0.002400384061449832 DMol3 0.12481997119539126 DPD 4.8007681228996637E-4 Forcite 0.34901584253480555 GULP 0.01056168987037926 LUDI 0.00528084493518963 LibDock 0.05760921747479597 LigandFit 0.0028804608737397984 MCSS 4.8007681228996637E-4 MODELER 0.09073451752280365 MesoDyn 0.0 Mesocite 9.601536245799327E-4 Mesoscale 0.002400384061449832 Morphology 0.012481997119539127 Polymorph 0.0 QSAR 4.8007681228996637E-4 Quantum Mechanics 0.39702352376380223 Reflex 0.08593374939990399 Reflex Plus 9.601536245799327E-4 Semi-empirical 0.003360537686029765 Sorption 0.03504560729716755 Synthia 0.0014402304368698992 TURBOMOLE 0.0 VAMP 4.8007681228996637E-4 Visualization 1.0 X-Cell 0.002400384061449832 ZDOCK 0.003840614498319731

Year

2021 0.0863441518677281 2022 0.3515003061849357 2023 0.5407225964482547 2024 0.9797917942437232 2025 1.0 2026 0.3251684017146356 2027 0.0

Keywords

synthesized 1.0 target 0.9584438549955792 docking 0.36582670203359857 synthesis 0.363395225464191 visualization 0.2738726790450928 potential 0.27298850574712646 novel 0.26436781609195403 compound 0.1828028293545535 analysis 0.15406719717064546 activity 0.13351016799292661 binding 0.09681697612732096 promising 0.08930150309460655 between 0.06918656056587091 vitro 0.0649867374005305 design 0.0629973474801061 designed 0.05592396109637489 potent 0.05305039787798409 inhibition 0.05282935455349248 experimental 0.020778072502210435 effective 0.017020335985853226 silico 0.013704686118479222 cell 0.013262599469496022 active 0.009946949602122016 energy 4.420866489832007E-4 drug 0.0
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