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Application

Discovery Studio 1.0 Materials Studio 0.9713981168946527 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.057955046275892465 Amorphous Cell 0.2769942706037902 Blends 0.0024239753195240193 CASTEP 0.3248126928162186 CDOCKER 0.1740855002203614 CHARMm 0.27611282503305423 COMPASS 0.3362714852357867 COMPASS III 0.10423093873953283 COSMObase 0.004847950639048039 COSMOconf 0.005949757602468048 COSMOmic 0.0 COSMOperm 4.4072278536800354E-4 COSMOplex 2.2036139268400177E-4 COSMOquick 6.610841780520053E-4 COSMOtherm 0.06500661084178053 Catalyst 0.08351696782723667 Classical Simulations 1.0 Conformers 4.4072278536800354E-4 Crystallization 0.07117672983693257 DFTB Plus 0.004186866460996034 DMol3 0.1494050242397532 DPD 0.0024239753195240193 Discover 0.004407227853680035 Forcite 0.5209343323049802 GULP 0.01740855002203614 Kinetix 2.2036139268400177E-4 LUDI 0.00374614367562803 LibDock 0.07205817540766858 LigandFit 0.00374614367562803 MODELER 0.25650066108417807 MesoDyn 6.610841780520053E-4 Mesocite 0.003085059497576025 Mesoscale 0.005949757602468048 Modules 0.0 Morphology 0.016527104451300133 ONETEP 8.814455707360071E-4 Polymorph 0.0024239753195240193 QMERA 2.2036139268400177E-4 QSAR 4.4072278536800354E-4 Quantum Mechanics 0.4656236227412957 Reflex 0.05090348171000441 Reflex Plus 8.814455707360071E-4 Semi-empirical 0.005509034817100044 Sorption 0.05685323931247246 Synthia 0.0011018069634200088 TURBOMOLE 2.2036139268400177E-4 VAMP 6.610841780520053E-4 Visualization 0.7133098281181137 X-Cell 0.0013221683561040105 ZDOCK 0.02886734244160423

Year

2023 0.0 2024 0.41730872603476077 2025 1.0 2026 0.7294391686077764 2027 1.7917935853789643E-4

Keywords

target 1.0 potential 0.30628997867803837 docking 0.22899786780383796 analysis 0.2197228144989339 visualization 0.16929637526652452 between 0.14541577825159915 novel 0.0964818763326226 promising 0.088272921108742 binding 0.07718550106609808 energy 0.07196162046908315 cell 0.0626865671641791 activity 0.05373134328358209 stability 0.041684434968017055 performance 0.038272921108742 including 0.021961620469083155 effective 0.01950959488272921 synthesized 0.018017057569296377 development 0.01695095948827292 mechanism 0.014818763326226014 experimental 0.013646055437100213 enhanced 0.01162046908315565 strong 0.01023454157782516 interaction 0.010127931769722815 protein 0.00394456289978678 design 0.0
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