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Application

Discovery Studio 1.0 Materials Studio 0.7864279766860949 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05759803921568627 Amorphous Cell 0.19178921568627452 Blends 0.0024509803921568627 CASTEP 0.40318627450980393 CDOCKER 0.19117647058823528 CHARMm 0.2426470588235294 COMPASS 0.3247549019607843 COMPASS III 0.00857843137254902 COSMObase 6.127450980392157E-4 COSMOconf 6.127450980392157E-4 COSMOperm 6.127450980392157E-4 COSMOplex 0.0 COSMOquick 0.0012254901960784314 COSMOtherm 0.06311274509803921 Catalyst 0.1636029411764706 Classical Simulations 0.8223039215686274 Conformers 0.0 Crystallization 0.05943627450980392 DFTB Plus 0.004901960784313725 DMol3 0.2034313725490196 DPD 0.006740196078431373 Discover 0.02144607843137255 Forcite 0.3602941176470588 GULP 0.028799019607843136 LUDI 0.007965686274509803 LibDock 0.08455882352941177 LigandFit 0.010416666666666666 MCSS 0.0030637254901960784 MODELER 0.07965686274509803 MesoDyn 0.0030637254901960784 Mesocite 0.00980392156862745 Mesoscale 0.017769607843137254 Morphology 0.015931372549019607 ONETEP 0.0024509803921568627 Polymorph 0.0024509803921568627 QSAR 0.003676470588235294 Quantum Mechanics 0.5949754901960784 Reflex 0.04105392156862745 Reflex Plus 0.0012254901960784314 Semi-empirical 0.00980392156862745 Sorption 0.03676470588235294 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.00428921568627451 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04350490196078431

Year

2022 0.0

Keywords

target 1.0 visualization 0.2651151024538325 docking 0.22413356944093094 potential 0.18087528459397925 between 0.13761699974702757 analysis 0.12193270933468252 novel 0.0738679483936251 binding 0.06906147229951935 activity 0.05944852011130787 interaction 0.05868960283329117 energy 0.056918795851252216 experimental 0.04224639514292942 cell 0.03491019478876802 protein 0.03465722236276246 synthesis 0.03010371869466228 synthesized 0.026056159878573234 well 0.025550215026562104 mechanism 0.013154566152289401 chemical 0.00885403491019479 compound 0.006324310650139135 vitro 0.002023779408044523 silico 0.0015178345560333923 stability 5.059448520111307E-4 design 0.0 drug 0.0
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