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Application

Discovery Studio 1.0 Materials Studio 0.7876876876876877 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06247211066488175 Amorphous Cell 0.1892012494422133 Blends 0.0031236055332440876 CASTEP 0.42079428826416776 CDOCKER 0.19857206604194555 CHARMm 0.24721106648817492 COMPASS 0.3119143239625167 COMPASS III 0.010263275323516287 COSMObase 4.462293618920125E-4 COSMOconf 4.462293618920125E-4 COSMOmic 0.0 COSMOperm 8.92458723784025E-4 COSMOplex 0.0 COSMOquick 4.462293618920125E-4 COSMOtherm 0.06738063364569388 Catalyst 0.16599732262382866 Classical Simulations 0.8170459616242749 Conformers 8.92458723784025E-4 Crystallization 0.06916555109326193 DFTB Plus 0.005800981704596163 DMol3 0.2101740294511379 DPD 0.0071396697902722 Discover 0.01651048639000446 Forcite 0.357429718875502 GULP 0.03302097278000892 LUDI 0.008478357875948238 LibDock 0.08032128514056225 LigandFit 0.009370816599732263 MCSS 0.002677376171352075 MODELER 0.10218652387327086 MesoDyn 0.002677376171352075 Mesocite 0.008032128514056224 Mesoscale 0.015618027666220438 Morphology 0.01740294511378849 ONETEP 0.002677376171352075 Polymorph 0.002677376171352075 QMERA 4.462293618920125E-4 QSAR 0.0031236055332440876 Quantum Mechanics 0.6207050423917894 Reflex 0.049085229808121376 Reflex Plus 0.0013386880856760374 Semi-empirical 0.009817045961624275 Sorption 0.03034359660865685 Synthia 4.462293618920125E-4 TURBOMOLE 8.92458723784025E-4 VAMP 0.002677376171352075 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03971441320838911

Year

2022 0.0

Keywords

target 1.0 visualization 0.26173384870237437 docking 0.2311798269832505 potential 0.18700533775078226 between 0.13896558071047305 analysis 0.12571323394073255 novel 0.08264310693907602 binding 0.07417632983618627 activity 0.06460519050248481 energy 0.05558623228418921 interaction 0.05061660224553654 experimental 0.042149825142646785 protein 0.034971470642370696 cell 0.03313086692435119 synthesized 0.03239462543714338 synthesis 0.025584391680471195 well 0.024295969077857537 chemical 0.017485735321185348 mechanism 0.016565433462175594 drug 0.008650837474691699 compound 0.007914595987483895 design 0.0033130866924351186 vitro 0.0031290263206331676 silico 7.362414872078042E-4 inhibition 0.0
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