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Application

Discovery Studio 1.0 Materials Studio 0.3594713656387665 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03357865685372585 Amorphous Cell 0.1062557497700092 Blends 4.5998160073597056E-4 CASTEP 0.18215271389144433 CDOCKER 0.2046918123275069 CHARMm 0.2548298068077277 COMPASS 0.17525298988040477 COMPASS III 0.0068997240110395585 COSMObase 0.0 COSMOconf 4.5998160073597056E-4 COSMOmic 0.0 COSMOperm 9.199632014719411E-4 COSMOquick 4.5998160073597056E-4 COSMOtherm 0.03541858325666973 Catalyst 0.17111315547378106 Classical Simulations 0.5653173873045079 Conformers 0.0 Crystallization 0.03265869365225391 DFTB Plus 0.003219871205151794 DMol3 0.09383624655013799 DPD 0.0018399264029438822 Discover 0.0078196872125115 Forcite 0.20745170193192272 GULP 0.011499540018399264 LUDI 0.008739650413983441 LibDock 0.0827966881324747 LigandFit 0.009659613615455382 MCSS 0.0027598896044158236 MODELER 0.10533578656853726 MesoDyn 0.0 Mesocite 0.003219871205151794 Mesoscale 0.005059797608095676 Morphology 0.0068997240110395585 ONETEP 9.199632014719411E-4 Polymorph 9.199632014719411E-4 QSAR 0.0018399264029438822 Quantum Mechanics 0.2700091996320147 Reflex 0.02391904323827047 Reflex Plus 0.0013799448022079118 Semi-empirical 0.005059797608095676 Sorption 0.012879484820607176 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0013799448022079118 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04093836246550138

Year

2022 0.0

Keywords

target 1.0 visualization 0.36857490864799025 docking 0.3412911084043849 potential 0.23020706455542023 analysis 0.14908647990255786 binding 0.12423873325213154 between 0.10937880633373934 activity 0.10548112058465287 novel 0.10499390986601705 protein 0.08331303288672351 interaction 0.06285018270401949 synthesis 0.04847746650426309 drug 0.04141291108404385 vitro 0.03946406820950061 silico 0.0389768574908648 synthesized 0.038733252131546894 compound 0.03118148599269184 inhibition 0.02630937880633374 cell 0.025091352009744213 treatment 0.017783191230207065 well 0.01510353227771011 mechanism 0.011449451887941534 experimental 0.00682095006090134 design 0.0 energy 0.0
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