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Application

Discovery Studio 1.0 Materials Studio 0.3711694809255785 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03305785123966942 Amorphous Cell 0.09917355371900827 Blends 9.722897423432182E-4 CASTEP 0.19348565872630044 CDOCKER 0.2070977151191055 CHARMm 0.2557122022362664 COMPASS 0.1706368497812348 COMPASS III 0.006319883325230919 COSMObase 4.861448711716091E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 9.722897423432182E-4 COSMOquick 4.861448711716091E-4 COSMOtherm 0.03548857559552747 Catalyst 0.16917841516771998 Classical Simulations 0.5542051531356345 Conformers 4.861448711716091E-4 Crystallization 0.03305785123966942 DFTB Plus 0.004861448711716091 DMol3 0.10354885755955275 DPD 0.0014584346135148275 Discover 0.007292173067574137 Forcite 0.19299951385512884 GULP 0.01118133203694701 LUDI 0.007778317938745746 LibDock 0.08264462809917356 LigandFit 0.010209042294603793 MCSS 0.0019445794846864365 MODELER 0.09431210500729217 MesoDyn 9.722897423432182E-4 Mesocite 0.003889158969372873 Mesoscale 0.007292173067574137 Morphology 0.008264462809917356 ONETEP 4.861448711716091E-4 Polymorph 9.722897423432182E-4 QSAR 0.0014584346135148275 Quantum Mechanics 0.2916869227029655 Reflex 0.022848808945065628 Reflex Plus 0.0014584346135148275 Semi-empirical 0.006806028196402528 Sorption 0.014584346135148274 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0014584346135148275 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04132231404958678

Year

2022 0.0

Keywords

target 1.0 visualization 0.3677835051546392 docking 0.3286082474226804 potential 0.22989690721649483 analysis 0.14871134020618557 binding 0.12010309278350516 between 0.10670103092783505 novel 0.10541237113402062 activity 0.10335051546391752 protein 0.07809278350515464 interaction 0.05695876288659794 synthesis 0.046649484536082475 synthesized 0.03891752577319588 drug 0.03762886597938144 vitro 0.0365979381443299 silico 0.03324742268041237 compound 0.02860824742268041 inhibition 0.02345360824742268 cell 0.02268041237113402 treatment 0.015463917525773196 well 0.011855670103092783 mechanism 0.010051546391752578 experimental 0.008505154639175257 design 5.154639175257732E-4 energy 0.0
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