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Application

Discovery Studio 1.0 Materials Studio 0.5473479589003055 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.043713572023313906 Amorphous Cell 0.16361365528726063 Blends 0.004163197335553705 CASTEP 0.26602830974188174 CDOCKER 0.17568692756036636 CHARMm 0.2622814321398834 COMPASS 0.26061615320566195 COMPASS III 0.017901748542880933 COSMObase 4.1631973355537054E-4 COSMOconf 4.1631973355537054E-4 COSMOmic 0.0 COSMOperm 4.1631973355537054E-4 COSMOplex 0.0 COSMOquick 4.1631973355537054E-4 COSMOtherm 0.04329725228975854 Catalyst 0.18942547876769358 Classical Simulations 0.7243963363863447 Conformers 0.002497918401332223 Crystallization 0.044962531223980015 DFTB Plus 0.0029142381348875937 DMol3 0.13363863447127394 DPD 0.0016652789342214821 Discover 0.005412156536219817 Forcite 0.324729392173189 GULP 0.02414654454621149 LUDI 0.004163197335553705 LibDock 0.07243963363863447 LigandFit 0.00749375520399667 MCSS 0.0 MODELER 0.07243963363863447 MesoDyn 8.326394671107411E-4 Mesocite 0.004579517069109076 Mesoscale 0.00749375520399667 Morphology 0.011240632805995004 ONETEP 4.1631973355537054E-4 Polymorph 8.326394671107411E-4 QSAR 0.0 Quantum Mechanics 0.3900915903413822 Reflex 0.03164029975020816 Reflex Plus 0.0 Semi-empirical 0.004163197335553705 Sorption 0.02373022481265612 TURBOMOLE 4.1631973355537054E-4 VAMP 8.326394671107411E-4 Visualization 1.0 X-Cell 4.1631973355537054E-4 ZDOCK 0.02997502081598668

Year

2023 0.0

Keywords

target 1.0 visualization 0.31994404476418864 docking 0.31394884092725817 potential 0.24200639488409273 analysis 0.16466826538768986 between 0.12769784172661872 novel 0.09792166266986412 binding 0.09632294164668265 activity 0.08353317346123101 protein 0.0627498001598721 interaction 0.05735411670663469 synthesized 0.0407673860911271 energy 0.032773780975219824 cell 0.030975219824140688 compound 0.03017585931254996 silico 0.026378896882494004 vitro 0.026378896882494004 drug 0.02597921662669864 synthesis 0.024580335731414868 mechanism 0.011390887290167866 experimental 0.010991207034372502 inhibition 0.010991207034372502 promising 0.005995203836930456 development 0.004396482813749001 chemical 0.0
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