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Application

Discovery Studio 0.7834456207892204 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 2.927400468384075E-4 COSMOconf 0.00117096018735363 COSMOmic 2.927400468384075E-4 COSMOperm 8.782201405152225E-4 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 5.85480093676815E-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 0.19637002341920376 potential 0.18489461358313816 docking 0.18173302107728337 between 0.1537470725995316 analysis 0.12892271662763466 energy 0.09250585480093677 novel 0.07096018735362998 experimental 0.050468384074941454 cell 0.050234192037470725 interaction 0.047072599531615925 binding 0.04555035128805621 activity 0.03676814988290398 synthesized 0.029156908665105386 mechanism 0.02505854800936768 chemical 0.02259953161592506 protein 0.014637002341920375 well 0.014637002341920375 stability 0.007962529274004685 promising 0.007142857142857143 synthesis 0.005269320843091335 higher 0.004332552693208431 surface 0.001990632318501171 design 8.19672131147541E-4 development 0.0
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