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Application

Discovery Studio 0.666410009624639 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0795144157814871 Amorphous Cell 0.27890743550834596 Blends 0.005159332321699545 CASTEP 0.541122913505311 CDOCKER 0.125948406676783 CHARMm 0.19301972685887708 COMPASS 0.4370257966616085 COMPASS III 0.028224582701062217 COSMObase 6.069802731411229E-4 COSMOconf 0.0012139605462822458 COSMOmic 3.0349013657056146E-4 COSMOperm 0.0012139605462822458 COSMOplex 9.104704097116844E-4 COSMOquick 0.0021244309559939304 COSMOtherm 0.07617602427921093 Catalyst 0.13717754172989377 Classical Simulations 1.0 Conformers 0.004248861911987861 Crystallization 0.09408194233687406 DFTB Plus 0.006980273141122913 DMol3 0.28072837632776937 DPD 0.005462822458270106 Discover 0.012746585735963581 Forcite 0.5575113808801214 GULP 0.044916540212443096 LUDI 0.005766312594840668 LibDock 0.05311077389984825 LigandFit 0.006373292867981791 MCSS 3.0349013657056146E-4 MODELER 0.055235204855842185 MesoDyn 0.0036418816388467377 Mesocite 0.007283763277693475 Mesoscale 0.013960546282245826 Morphology 0.024279210925644917 ONETEP 0.002731411229135053 Polymorph 0.0021244309559939304 QMERA 9.104704097116844E-4 QSAR 0.0024279210925644916 Quantum Mechanics 0.8009104704097116 Reflex 0.06798179059180577 Reflex Plus 0.0012139605462822458 Reflex QPA 0.0 Semi-empirical 0.011836115326251897 Sorption 0.0543247344461305 Synthia 9.104704097116844E-4 TURBOMOLE 9.104704097116844E-4 VAMP 0.003338391502276176 Visualization 0.7754172989377845 X-Cell 0.0015174506828528073 ZDOCK 0.021244309559939303

Year

2023 0.0

Keywords

target 1.0 visualization 0.17345794392523364 potential 0.1730841121495327 between 0.15875389408099688 docking 0.15651090342679128 analysis 0.12024922118380062 energy 0.10180685358255452 novel 0.06255451713395639 experimental 0.056573208722741436 cell 0.052461059190031155 interaction 0.04548286604361371 binding 0.033894080996884735 mechanism 0.027538940809968847 synthesized 0.026292834890965733 chemical 0.02554517133956386 activity 0.024299065420560748 well 0.014330218068535825 surface 0.009595015576323987 stability 0.007850467289719627 higher 0.0067289719626168224 promising 0.006230529595015576 protein 0.0038629283489096575 design 0.0024922118380062306 synthesis 4.984423676012461E-4 effective 0.0
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