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Application

Discovery Studio 1.0 Materials Studio 0.8413355874894336 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06306641837368095 Amorphous Cell 0.26716325263811297 Blends 0.0023587833643699567 CASTEP 0.35679702048417133 CDOCKER 0.18783364369956548 CHARMm 0.2932340161390441 COMPASS 0.34202358783364367 COMPASS III 0.08317815021725636 COSMObase 0.0034761018001241463 COSMOconf 0.0034761018001241463 COSMOmic 0.0 COSMOperm 9.931719428926133E-4 COSMOplex 1.2414649286157667E-4 COSMOquick 0.0016139044072004966 COSMOtherm 0.05971446306641837 Cantera 0.0 Catalyst 0.13122284295468653 Classical Simulations 1.0 Conformers 4.965859714463067E-4 Crystallization 0.06778398510242085 DFTB Plus 0.005338299193047796 DMol3 0.16499068901303537 DPD 0.00186219739292365 Discover 0.0026070763500931097 Forcite 0.5103662321539416 GULP 0.02160148975791434 Kinetix 1.2414649286157667E-4 LUDI 0.004220980757293606 LibDock 0.07957790192427064 LigandFit 0.005834885164494103 MCSS 4.965859714463067E-4 MODELER 0.22470515207945377 MesoDyn 7.448789571694599E-4 Mesocite 0.0033519553072625698 Mesoscale 0.005710738671632526 Modules 0.0 Morphology 0.01638733705772812 ONETEP 8.690254500310366E-4 Polymorph 0.0019863438857852266 QMERA 0.0 QSAR 8.690254500310366E-4 Quantum Mechanics 0.5116076970825574 Reflex 0.048789571694599625 Reflex Plus 0.0011173184357541898 Semi-empirical 0.006828057107386716 Sorption 0.05338299193047796 Synthia 0.0012414649286157666 TURBOMOLE 6.207324643078833E-4 VAMP 0.0012414649286157666 Visualization 0.9056486654252017 X-Cell 0.0014897579143389199 ZDOCK 0.03376784605834885

Year

2022 0.0 2023 0.24117585080602677 2024 0.5575808660836582 2025 1.0 2026 0.2638288905278685

Keywords

target 1.0 potential 0.29693931398416884 docking 0.2501846965699208 visualization 0.2220580474934037 analysis 0.20137203166226914 between 0.14686015831134563 novel 0.10696569920844327 binding 0.08469656992084433 energy 0.07055408970976253 promising 0.06538258575197889 activity 0.06522427440633245 cell 0.05604221635883905 stability 0.03503957783641161 interaction 0.03430079155672823 protein 0.028443271767810027 synthesized 0.028443271767810027 development 0.02094986807387863 experimental 0.019155672823219 including 0.01799472295514512 effective 0.01699208443271768 mechanism 0.016094986807387864 synthesis 0.015303430079155673 performance 0.014934036939313984 vitro 8.443271767810027E-4 silico 0.0
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