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Application

Discovery Studio 1.0 Materials Studio 0.7461685823754789 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056818181818181816 Amorphous Cell 0.16950757575757575 Blends 0.002840909090909091 CASTEP 0.4081439393939394 CDOCKER 0.20170454545454544 CHARMm 0.2490530303030303 COMPASS 0.2850378787878788 COMPASS III 0.00946969696969697 COSMObase 4.734848484848485E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 9.46969696969697E-4 COSMOplex 0.0 COSMOquick 4.734848484848485E-4 COSMOtherm 0.06534090909090909 Catalyst 0.16477272727272727 Classical Simulations 0.7708333333333334 Conformers 9.46969696969697E-4 Crystallization 0.06581439393939394 DFTB Plus 0.00615530303030303 DMol3 0.20454545454545456 DPD 0.00615530303030303 Discover 0.015625 Forcite 0.3214962121212121 GULP 0.032196969696969696 LUDI 0.007575757575757576 LibDock 0.08049242424242424 LigandFit 0.009943181818181818 MCSS 0.001893939393939394 MODELER 0.09185606060606061 MesoDyn 0.002840909090909091 Mesocite 0.007102272727272727 Mesoscale 0.014678030303030304 Morphology 0.016571969696969696 ONETEP 0.0023674242424242425 Polymorph 0.002840909090909091 QMERA 4.734848484848485E-4 QSAR 0.0023674242424242425 Quantum Mechanics 0.6036931818181818 Reflex 0.04640151515151515 Reflex Plus 0.0014204545454545455 Semi-empirical 0.010416666666666666 Sorption 0.030303030303030304 Synthia 4.734848484848485E-4 TURBOMOLE 9.46969696969697E-4 VAMP 0.002840909090909091 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04024621212121212

Year

2022 0.0

Keywords

target 1.0 visualization 0.27186808767343656 docking 0.23285743012266238 potential 0.1922380856625779 between 0.13633621556404585 analysis 0.12708626583551177 novel 0.08626583551176352 binding 0.0762115423285743 activity 0.06635833500904886 energy 0.04986929418861854 interaction 0.047858435551980695 experimental 0.04041825859642067 protein 0.035994369595817415 synthesized 0.03317916750452443 cell 0.029559621958576313 synthesis 0.026543334003619544 well 0.02312487432133521 chemical 0.017896641866076816 mechanism 0.014880353911120048 drug 0.009451035592197869 compound 0.008445606273878947 vitro 0.004826060727930827 design 0.002815202091292982 silico 4.021717273275689E-4 inhibition 0.0
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