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Application

Discovery Studio 1.0 Materials Studio 0.9721827411167513 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05812417437252312 Amorphous Cell 0.27767503302509905 Blends 0.001585204755614267 CASTEP 0.35297225891677675 CDOCKER 0.16935270805812416 CHARMm 0.2591809775429326 COMPASS 0.3537648612945839 COMPASS III 0.09907529722589167 COSMObase 0.003963011889035667 COSMOconf 0.005284015852047556 COSMOmic 2.642007926023778E-4 COSMOperm 0.001321003963011889 COSMOplex 2.642007926023778E-4 COSMOquick 0.0010568031704095112 COSMOtherm 0.0665785997357992 Catalyst 0.10858652575957728 Classical Simulations 1.0 Conformers 2.642007926023778E-4 Crystallization 0.07318361955085866 DFTB Plus 0.0066050198150594455 DMol3 0.16618229854689565 DPD 0.0023778071334214002 Discover 0.0023778071334214002 Forcite 0.5368560105680317 GULP 0.02166446499339498 Kinetix 2.642007926023778E-4 LUDI 0.002642007926023778 LibDock 0.07159841479524438 LigandFit 0.004227212681638045 MODELER 0.22959048877146632 MesoDyn 2.642007926023778E-4 Mesocite 0.0021136063408190224 Mesoscale 0.005019815059445178 Modules 0.0 Morphology 0.01822985468956407 ONETEP 0.001321003963011889 Polymorph 0.0021136063408190224 QMERA 0.0 QSAR 5.284015852047556E-4 Quantum Mechanics 0.5093791281373844 Reflex 0.05151915455746367 Reflex Plus 0.001585204755614267 Semi-empirical 0.007926023778071334 Sorption 0.06287978863936591 Synthia 0.0021136063408190224 TURBOMOLE 0.0 VAMP 7.926023778071334E-4 Visualization 0.8052840158520476 X-Cell 7.926023778071334E-4 ZDOCK 0.026948480845442536

Year

2023 0.18375552874949738 2024 0.48914354644149577 2025 1.0 2026 0.42923200643345394 2027 0.0

Keywords

target 1.0 potential 0.29628322747588803 docking 0.22394730651611386 analysis 0.205363443895554 visualization 0.19701246765466948 between 0.15219948247471182 novel 0.10197600564573042 energy 0.08621500823335686 promising 0.07351211479651847 binding 0.07210068219242531 cell 0.06563161609033169 activity 0.05786873676781934 stability 0.038108680310515175 performance 0.03387438249823571 synthesized 0.03375676311456128 interaction 0.029875323453305104 experimental 0.02375911550223477 development 0.022230063514467185 including 0.021759585979769465 effective 0.02034815337567631 mechanism 0.020112914608327453 protein 0.01305575158786168 synthesis 0.011761938367442954 enhanced 0.0018819101387908728 vitro 0.0
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