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Application

Discovery Studio 1.0 Materials Studio 0.5808059825508932 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.048841577958672514 Amorphous Cell 0.14652473387601753 Blends 0.001878522229179712 CASTEP 0.30807764558547274 CDOCKER 0.20601127113337508 CHARMm 0.25297432686286786 COMPASS 0.2548528490920476 COMPASS III 0.008766437069505322 COSMObase 6.261740763932373E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0012523481527864746 COSMOquick 6.261740763932373E-4 COSMOtherm 0.06011271133375078 Catalyst 0.16530995616781466 Classical Simulations 0.6981840951784596 Conformers 6.261740763932373E-4 Crystallization 0.055103318722604884 DFTB Plus 0.006261740763932373 DMol3 0.15341264871634314 DPD 0.001878522229179712 Discover 0.013775829680651221 Forcite 0.2798998121477771 GULP 0.018159048215403883 LUDI 0.0068879148403256105 LibDock 0.08578584846587352 LigandFit 0.010018785222291797 MCSS 0.001878522229179712 MODELER 0.08390732623669381 MesoDyn 0.0012523481527864746 Mesocite 0.005009392611145898 Mesoscale 0.00939261114589856 Morphology 0.015028177833437696 ONETEP 6.261740763932373E-4 Polymorph 0.001878522229179712 QSAR 0.002504696305572949 Quantum Mechanics 0.45397620538509703 Reflex 0.03757044458359424 Reflex Plus 0.001878522229179712 Semi-empirical 0.008766437069505322 Sorption 0.02567313713212273 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.001878522229179712 Visualization 1.0 X-Cell 0.0 ZDOCK 0.042579837194740136

Year

2022 0.0

Keywords

target 1.0 visualization 0.3027785734746491 docking 0.26668576339157835 potential 0.20653107991979375 analysis 0.13978802635348037 between 0.12403322830134632 novel 0.09137782870237754 binding 0.08736751647092524 activity 0.07820108851331997 interaction 0.05098825551417932 protein 0.04697794328272701 synthesis 0.03236894872529361 cell 0.03208249785161845 experimental 0.03208249785161845 energy 0.029504439988541964 synthesized 0.02807218562016614 well 0.02005156115726153 drug 0.018619306788885705 vitro 0.016614150673159554 compound 0.014895445431108566 mechanism 0.012890289315382412 silico 0.0097393297049556 inhibition 0.007734173589229447 treatment 0.003150959610426812 chemical 0.0
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