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Application

Discovery Studio 1.0 Materials Studio 0.012368207623682076 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.007928300586004825 Amorphous Cell 0.0044812133746983795 CASTEP 0.0031023784901758012 CDOCKER 0.13857290589451912 CHARMm 0.31782144088245434 COMPASS 0.011720096518441917 COMPASS III 0.002757669769045157 COSMOconf 0.0 COSMOperm 0.001034126163391934 COSMOquick 6.894174422612892E-4 COSMOtherm 0.013788348845225784 Catalyst 0.20062047569803515 Classical Simulations 0.344364012409514 Conformers 0.0 Crystallization 0.0013788348845225785 DFTB Plus 3.447087211306446E-4 DMol3 0.0062047569803516025 Forcite 0.017924853498793518 GULP 0.0 Kinetix 0.0 LUDI 0.011720096518441917 LibDock 0.04412271630472251 LigandFit 0.017924853498793518 MCSS 0.001723543605653223 MODELER 0.24095139607032057 Morphology 6.894174422612892E-4 Polymorph 0.0 QSAR 0.001034126163391934 Quantum Mechanics 0.009651844191658049 Reflex 0.0 Semi-empirical 6.894174422612892E-4 Sorption 0.001723543605653223 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.023440193036883834

Year

2016 0.03776553894571204 2017 0.06294256490952006 2018 0.10464201416207711 2019 0.11723052714398112 2020 0.17230527143981117 2021 0.24468922108575925 2022 0.5357985837922895 2023 0.8646734854445318 2024 1.0 2025 0.7671125098347757 2026 0.0

Keywords

silico 1.0 target 0.9677266255339345 docking 0.6203132415757 visualization 0.4755576649264357 potential 0.4655908875177978 analysis 0.2975794969150451 vitro 0.27740863787375414 binding 0.2555766492643569 activity 0.19174181300427148 protein 0.15851922164214524 drug 0.1440436639772188 novel 0.1267204556241101 inhibition 0.0984812529663028 compound 0.07973421926910298 promising 0.06549596582819174 interaction 0.053156146179401995 synthesis 0.03559563360227812 synthesized 0.03345989558614143 between 0.03156146179401993 treatment 0.029425723777883245 therapeutic 0.027764594209776935 potent 0.020170859041290935 development 0.007119126720455624 binding affinity 0.003559563360227812 enzyme 0.0
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