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Application

Discovery Studio 1.0 Materials Studio 0.8051131601005868 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056962025316455694 Amorphous Cell 0.170182841068917 Antibody 0.004219409282700422 Blends 0.0028129395218002813 CASTEP 0.44022503516174405 CDOCKER 0.2545710267229255 CHARMm 0.31153305203938114 COMPASS 0.35443037974683544 COMPASS III 0.0 COSMObase 7.032348804500703E-4 COSMOconf 0.0014064697609001407 COSMOperm 0.0 COSMOquick 0.0035161744022503515 COSMOtherm 0.06610407876230662 Catalyst 0.12306610407876231 Classical Simulations 0.9817158931082982 Conformers 0.002109704641350211 Crystallization 0.11673699015471167 DFTB Plus 0.002109704641350211 DMol3 0.25316455696202533 DPD 0.005625879043600563 Discover 0.03164556962025317 Forcite 0.42334739803094235 GULP 0.0379746835443038 LUDI 0.008438818565400843 LibDock 0.07946554149085795 LigandFit 0.028832630098452883 MCSS 0.002109704641350211 MODELER 0.3171589310829817 MesoDyn 0.002109704641350211 Mesocite 0.006329113924050633 Mesoscale 0.011251758087201125 Morphology 0.03234880450070324 ONETEP 0.002109704641350211 Polymorph 0.0014064697609001407 QSAR 0.0028129395218002813 Quantum Mechanics 0.6856540084388185 Reflex 0.08368495077355836 Reflex Plus 0.006329113924050633 Semi-empirical 0.007032348804500703 Sorption 0.0450070323488045 Synthia 0.0 TURBOMOLE 0.0014064697609001407 VAMP 0.0035161744022503515 Visualization 1.0 X-Cell 0.0028129395218002813 ZDOCK 0.03938115330520394

Year

2020 0.0

Keywords

target 1.0 visualization 0.21944444444444444 docking 0.18787878787878787 between 0.15808080808080807 potential 0.14696969696969697 novel 0.10681818181818181 analysis 0.10555555555555556 binding 0.0803030303030303 activity 0.07727272727272727 interaction 0.054292929292929296 protein 0.04419191919191919 experimental 0.04141414141414142 energy 0.03686868686868687 well 0.0351010101010101 synthesized 0.03484848484848485 cell 0.026767676767676767 chemical 0.02297979797979798 mechanism 0.020202020202020204 inhibition 0.015909090909090907 synthesis 0.014393939393939395 design 0.012373737373737374 compound 0.011868686868686869 drug 0.00808080808080808 promising 0.00404040404040404 surface 0.0
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