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Application

Discovery Studio 1.0 Materials Studio 0.05781286278151846 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.005917159763313609 Amorphous Cell 0.018121301775147928 Blends 0.0 CASTEP 0.023668639053254437 CDOCKER 0.17899408284023668 CHARMm 0.27958579881656803 COMPASS 0.03698224852071006 COMPASS III 0.004807692307692308 COSMOtherm 0.00628698224852071 Catalyst 0.19785502958579881 Classical Simulations 0.33949704142011833 Conformers 0.0 Crystallization 0.005547337278106509 DFTB Plus 0.0 DMol3 0.013313609467455622 DPD 0.0 Discover 0.0018491124260355029 Forcite 0.038461538461538464 GULP 0.0018491124260355029 LUDI 0.0070266272189349116 LibDock 0.07322485207100592 LigandFit 0.008136094674556213 MCSS 3.698224852071006E-4 MODELER 0.07840236686390532 Mesocite 3.698224852071006E-4 Mesoscale 3.698224852071006E-4 Morphology 0.0014792899408284023 Quantum Mechanics 0.03661242603550296 Reflex 0.0036982248520710057 Semi-empirical 0.0 Sorption 0.0029585798816568047 Visualization 1.0 ZDOCK 0.029585798816568046

Year

2023 0.0

Keywords

target 1.0 docking 0.5467289719626168 visualization 0.5311526479750779 potential 0.34527518172377986 analysis 0.23572170301142265 binding 0.2084631360332295 protein 0.17601246105919002 activity 0.16433021806853582 novel 0.1542056074766355 silico 0.11318795430944964 vitro 0.10773624091381101 drug 0.10617860851505712 compound 0.09241952232606439 interaction 0.0911214953271028 between 0.08618899273104881 synthesis 0.07424714434060228 synthesized 0.06542056074766354 inhibition 0.06490134994807892 treatment 0.05529595015576324 development 0.031931464174454825 promising 0.01791277258566978 potent 0.01687435098650052 active 0.01142263759086189 therapeutic 0.006749740394600207 mechanism 0.0
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