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Application

Discovery Studio 0.925431083704465 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06913120979617143 Amorphous Cell 0.2824924436177633 Blends 0.0031000542509493916 CASTEP 0.416414787258777 CDOCKER 0.16492288615050762 CHARMm 0.24335425869952723 COMPASS 0.3805316593040378 COMPASS III 0.07517631558552275 COSMObase 0.003022552894675657 COSMOconf 0.0034875610323180655 COSMOmic 2.3250406882120437E-4 COSMOperm 0.0013175230566534915 COSMOplex 3.1000542509493915E-4 COSMOquick 0.0016275284817484307 COSMOtherm 0.06572115012012711 Cantera 0.0 Catalyst 0.11508951406649616 Classical Simulations 1.0 Conformers 0.0013950244129272262 Crystallization 0.07734635356118733 DFTB Plus 0.00565759900798264 DMol3 0.19034333100829265 DPD 0.0032550569634968614 Discover 0.004805084088971557 Forcite 0.5442145237541657 GULP 0.02735797876462838 Kinetix 2.3250406882120437E-4 LUDI 0.0050375881577927615 LibDock 0.06711617453305432 LigandFit 0.006975122064636131 MCSS 0.0011625203441060219 MODELER 0.17794311400449508 MesoDyn 0.0017825311942959 Mesocite 0.0046500813764240876 Mesoscale 0.008525149190110827 Modules 0.0 Morphology 0.017902813299232736 ONETEP 0.0011625203441060219 Polymorph 0.0019375339068433697 QMERA 2.3250406882120437E-4 QSAR 0.0013175230566534915 Quantum Mechanics 0.5943579012632721 Reflex 0.05711849957374254 Reflex Plus 6.975122064636131E-4 Semi-empirical 0.007595132914826009 Sorption 0.05456095481670929 Synthia 0.0013175230566534915 TURBOMOLE 5.425094939161435E-4 VAMP 0.0015500271254746958 Visualization 0.8188793303882818 X-Cell 0.0011625203441060219 ZDOCK 0.028598000465008138

Year

2020 0.019518599562363237 2021 0.12971553610503284 2022 0.21575492341356675 2023 0.49050328227571116 2024 0.9465207877461707 2025 1.0 2026 0.37207877461706784 2027 0.0

Keywords

target 1.0 potential 0.256836820083682 docking 0.19936401673640167 visualization 0.19461087866108787 analysis 0.17519665271966528 between 0.15397489539748954 novel 0.09653556485355648 energy 0.08873640167364016 binding 0.06122175732217573 cell 0.06058577405857741 activity 0.04515481171548117 promising 0.04431799163179916 interaction 0.03682008368200837 experimental 0.03102928870292887 stability 0.02811715481171548 synthesized 0.0262092050209205 performance 0.020686192468619247 mechanism 0.018476987447698746 effective 0.016669456066945608 development 0.014761506276150627 protein 0.011916317991631798 synthesis 0.008803347280334727 including 0.008468619246861925 chemical 0.0020083682008368202 design 0.0
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