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Application

Discovery Studio 1.0 Materials Studio 0.7651209677419355 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05518650996423097 Amorphous Cell 0.1665815022994379 Blends 0.0035769034236075624 CASTEP 0.428717424629535 CDOCKER 0.21001532958610117 CHARMm 0.24885028104241186 COMPASS 0.29432805314256516 COMPASS III 0.0025549310168625446 COSMOconf 5.10986203372509E-4 COSMOmic 0.0 COSMOperm 5.10986203372509E-4 COSMOplex 0.0 COSMOquick 0.001021972406745018 COSMOtherm 0.06182933060807358 Catalyst 0.07256004087889627 Classical Simulations 0.803270311701584 Conformers 5.10986203372509E-4 Crystallization 0.06438426162493613 DFTB Plus 0.0035769034236075624 DMol3 0.20286152273888605 DPD 0.007153806847215125 Discover 0.013285641287685232 Forcite 0.32141032192130814 GULP 0.04445579969340828 LUDI 0.009197751660705161 LibDock 0.07102708226877874 LigandFit 0.016862544711292796 MCSS 0.004598875830352581 MODELER 0.2774655084312724 MesoDyn 0.0035769034236075624 Mesocite 0.008175779253960144 Mesoscale 0.01481859989780276 Morphology 0.021461420541645376 ONETEP 0.0025549310168625446 Polymorph 0.002043944813490036 QMERA 0.001021972406745018 QSAR 0.002043944813490036 Quantum Mechanics 0.6131834440470108 Reflex 0.0403679100664282 Reflex Plus 0.0030659172202350538 Semi-empirical 0.009708737864077669 Sorption 0.02912621359223301 Synthia 5.10986203372509E-4 VAMP 0.004087889626980072 Visualization 1.0 X-Cell 0.0 ZDOCK 0.0342360756259581

Year

2021 0.0

Keywords

target 1.0 visualization 0.2577833125778331 docking 0.21876297218762972 potential 0.18638439186384392 between 0.15130759651307596 analysis 0.13262764632627647 novel 0.08883354088833541 binding 0.07347447073474471 activity 0.06371938563719386 interaction 0.04711498547114985 experimental 0.0402656704026567 protein 0.0369447903694479 energy 0.03507679535076795 well 0.0327936903279369 synthesized 0.025736820257368204 cell 0.024491490244914902 drug 0.01639684516396845 synthesis 0.013906185139061852 mechanism 0.012453300124533 chemical 0.008717310087173101 compound 0.008509755085097551 promising 0.0024906600249066002 development 0.0016604400166044002 design 0.0012453300124533001 inhibition 0.0
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