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Application

Discovery Studio 1.0 Materials Studio 0.8604581072935503 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06714095153401511 Amorphous Cell 0.20942641173855048 Blends 0.004001778568252557 CASTEP 0.4588706091596265 CDOCKER 0.19786571809693196 CHARMm 0.2463317029791018 COMPASS 0.3405958203646065 COMPASS III 0.01067140951534015 COSMObase 4.4464206313917296E-4 COSMOconf 4.4464206313917296E-4 COSMOmic 0.0 COSMOperm 8.892841262783459E-4 COSMOplex 0.0 COSMOquick 4.4464206313917296E-4 COSMOtherm 0.07247665629168519 Catalyst 0.16540684748777235 Classical Simulations 0.8670520231213873 Conformers 8.892841262783459E-4 Crystallization 0.07381058248110271 DFTB Plus 0.006669630947087594 DMol3 0.22276567363272565 DPD 0.008003557136505114 Discover 0.01823032458870609 Forcite 0.38906180524677636 GULP 0.035571365051133834 LUDI 0.008448199199644287 LibDock 0.08003557136505113 LigandFit 0.009337483325922631 MCSS 0.0026678523788350376 MODELER 0.10182303245887062 MesoDyn 0.0026678523788350376 Mesocite 0.009337483325922631 Mesoscale 0.016896398399288574 Morphology 0.01823032458870609 ONETEP 0.0026678523788350376 Polymorph 0.0026678523788350376 QMERA 4.4464206313917296E-4 QSAR 0.0031124944419742106 Quantum Mechanics 0.670964873277012 Reflex 0.052912405513561585 Reflex Plus 0.0013339261894175188 Semi-empirical 0.01067140951534015 Sorption 0.03379279679857715 Synthia 4.4464206313917296E-4 TURBOMOLE 0.0013339261894175188 VAMP 0.0026678523788350376 Visualization 1.0 X-Cell 0.0 ZDOCK 0.039573143619386394

Year

2022 0.0

Keywords

target 1.0 visualization 0.2489853538027175 docking 0.21881065819657666 potential 0.18087171342862185 between 0.14487383095112052 analysis 0.12246338450679371 novel 0.08011293453326275 binding 0.06899594141521087 energy 0.06440797600141168 activity 0.05982001058761249 interaction 0.051173460384683254 experimental 0.04605611434621493 cell 0.03829186518440092 synthesized 0.03229221810481736 protein 0.030527616022586905 well 0.02505734956767249 synthesis 0.023645667901888125 chemical 0.019057702488088937 mechanism 0.018704782071642844 compound 0.0061761072878066 drug 0.005470266454914417 design 0.0044115052055761425 promising 0.0017646020822304571 higher 0.0012352214575613199 vitro 0.0
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