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Application

Discovery Studio 1.0 Materials Studio 0.7865707434052758 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06577777777777778 Amorphous Cell 0.20577777777777778 Blends 0.0026666666666666666 CASTEP 0.4 CDOCKER 0.19777777777777777 CHARMm 0.24622222222222223 COMPASS 0.33466666666666667 COMPASS III 0.011111111111111112 COSMObase 4.4444444444444447E-4 COSMOconf 4.4444444444444447E-4 COSMOmic 0.0 COSMOperm 0.0013333333333333333 COSMOquick 4.4444444444444447E-4 COSMOtherm 0.06488888888888888 Catalyst 0.16533333333333333 Classical Simulations 0.8484444444444444 Conformers 4.4444444444444447E-4 Crystallization 0.06977777777777777 DFTB Plus 0.0071111111111111115 DMol3 0.1968888888888889 DPD 0.004888888888888889 Discover 0.016444444444444446 Forcite 0.3848888888888889 GULP 0.02666666666666667 LUDI 0.008444444444444444 LibDock 0.08 LigandFit 0.009333333333333334 MCSS 0.0026666666666666666 MODELER 0.10177777777777777 MesoDyn 0.0013333333333333333 Mesocite 0.0071111111111111115 Mesoscale 0.011555555555555555 Morphology 0.018666666666666668 ONETEP 0.0017777777777777779 Polymorph 0.0022222222222222222 QMERA 0.0 QSAR 0.004 Quantum Mechanics 0.5862222222222222 Reflex 0.04888888888888889 Reflex Plus 0.0013333333333333333 Semi-empirical 0.011555555555555555 Sorption 0.035111111111111114 Synthia 0.0 TURBOMOLE 4.4444444444444447E-4 VAMP 0.0035555555555555557 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03955555555555555

Year

2022 0.0

Keywords

target 1.0 visualization 0.26156941649899396 docking 0.22919334186939821 potential 0.18712273641851107 between 0.14047923907078835 analysis 0.1252972379732943 novel 0.07828790927382477 binding 0.07408084872873605 activity 0.06365465520395099 energy 0.05780135357600146 interaction 0.0556063654655204 experimental 0.040973111395646605 cell 0.04042436436802634 protein 0.035302725443570514 synthesized 0.029998170843241266 synthesis 0.02633985732577282 well 0.023961953539418327 mechanism 0.015182001097494055 chemical 0.010974940552405341 drug 0.008048289738430584 compound 0.0074995427108103165 design 0.003658313517468447 vitro 0.0029266508139747576 silico 3.658313517468447E-4 inhibition 0.0
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