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Application

Discovery Studio 1.0 Materials Studio 0.729602157788267 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04867944070429829 Amorphous Cell 0.15018125323666495 Blends 0.002589331952356292 CASTEP 0.430864836872087 CDOCKER 0.21077162092180218 CHARMm 0.25064733298808906 COMPASS 0.2641118591403418 COMPASS III 0.0015535991714137752 COSMOconf 0.0 COSMOperm 0.0015535991714137752 COSMOplex 5.178663904712584E-4 COSMOquick 5.178663904712584E-4 COSMOtherm 0.05696530295183842 Catalyst 0.07146556188503367 Classical Simulations 0.7441740031071984 Conformers 0.0010357327809425167 Crystallization 0.056447436561367165 DFTB Plus 0.0031071983428275505 DMol3 0.2154324184360435 DPD 0.008285862247540134 Discover 0.010875194199896427 Forcite 0.27705851890212324 GULP 0.04660797514241326 LUDI 0.009321595028482652 LibDock 0.0709476954945624 LigandFit 0.017089590885551526 MCSS 0.004142931123770067 MODELER 0.27861211807353703 MesoDyn 0.005178663904712584 Mesocite 0.009321595028482652 Mesoscale 0.017607457276022784 Morphology 0.015535991714137753 ONETEP 0.0036250647332988087 Polymorph 0.0020714655618850335 QMERA 0.0010357327809425167 QSAR 0.0020714655618850335 Quantum Mechanics 0.6323148627654065 Reflex 0.03728638011393061 Reflex Plus 0.0031071983428275505 Semi-empirical 0.008803728638011392 Sorption 0.024339720352149145 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0036250647332988087 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03417918177110305

Year

2021 0.0

Keywords

target 1.0 visualization 0.2666522957533951 docking 0.2261263203276568 potential 0.19551627505928001 between 0.1478766975641302 analysis 0.13731407630954948 novel 0.0946324638930804 binding 0.0784651864625997 activity 0.06919594740245742 interaction 0.04785514119422289 protein 0.03944815693037292 experimental 0.03815477473593447 energy 0.03492131924983833 well 0.0342746281526191 synthesized 0.02586764388876913 cell 0.019616296615649925 synthesis 0.018969605518430695 drug 0.01875404181935762 chemical 0.016382841129553783 compound 0.01271825824531149 mechanism 0.009484802759215347 development 0.0053890924768269025 promising 0.0053890924768269025 inhibition 0.002155636990730761 design 0.0
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