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Application

Discovery Studio 0.7832531280076998 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07669789227166277 Amorphous Cell 0.2690281030444965 Blends 0.004976580796252928 CASTEP 0.5219555035128806 CDOCKER 0.14168618266978922 CHARMm 0.22160421545667447 COMPASS 0.4215456674473068 COMPASS III 0.027224824355971896 COSMObase 5.85480093676815E-4 COSMOconf 0.00117096018735363 COSMOmic 2.927400468384075E-4 COSMOperm 0.00117096018735363 COSMOplex 8.782201405152225E-4 COSMOquick 0.0020491803278688526 COSMOtherm 0.07347775175644028 Catalyst 0.15661592505854802 Classical Simulations 1.0 Conformers 0.004098360655737705 Crystallization 0.09074941451990633 DFTB Plus 0.006733021077283372 DMol3 0.2707845433255269 DPD 0.005269320843091335 Discover 0.012295081967213115 Forcite 0.5377634660421545 GULP 0.04332552693208431 LUDI 0.0055620608899297425 LibDock 0.057962529274004686 LigandFit 0.006440281030444965 MCSS 2.927400468384075E-4 MODELER 0.06206088992974239 MesoDyn 0.00351288056206089 Mesocite 0.00702576112412178 Mesoscale 0.013466042154566744 Morphology 0.0234192037470726 ONETEP 0.0026346604215456673 Polymorph 0.0020491803278688526 QMERA 8.782201405152225E-4 QSAR 0.00234192037470726 Quantum Mechanics 0.7725409836065574 Reflex 0.06557377049180328 Reflex Plus 0.00117096018735363 Reflex QPA 0.0 Semi-empirical 0.011416861826697893 Sorption 0.052400468384074944 Synthia 8.782201405152225E-4 TURBOMOLE 8.782201405152225E-4 VAMP 0.0032201405152224825 Visualization 0.8559718969555035 X-Cell 0.0014637002341920376 ZDOCK 0.0234192037470726

Year

2023 0.0

Keywords

target 1.0 visualization 0.1962069772886912 potential 0.18485132287520487 docking 0.18169047061578084 between 0.1538281432919691 analysis 0.12889253102317957 energy 0.09248419573870288 novel 0.07082650433153828 experimental 0.05045656754858347 cell 0.0501053617419808 interaction 0.047061578084757666 binding 0.0455396862561461 activity 0.03675954109107937 synthesized 0.02903301334582065 mechanism 0.02493561226878951 chemical 0.022594240224771717 protein 0.014633575275111214 well 0.014516506672910325 stability 0.007843596347459611 promising 0.0072582533364551624 synthesis 0.005151018496839147 higher 0.00421446967923203 surface 0.0018730976352142356 design 8.19480215406228E-4 development 0.0
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