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Application

Discovery Studio 0.68001704303366 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08602150537634409 Amorphous Cell 0.25663082437275986 Blends 0.004301075268817204 CASTEP 0.6236559139784946 CDOCKER 0.17060931899641577 CHARMm 0.21003584229390682 COMPASS 0.43154121863799283 COMPASS III 0.014336917562724014 COSMObase 7.168458781362007E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0014336917562724014 COSMOplex 0.0 COSMOquick 7.168458781362007E-4 COSMOtherm 0.0989247311827957 Catalyst 0.13046594982078852 Classical Simulations 1.0 Conformers 0.0014336917562724014 Crystallization 0.0996415770609319 DFTB Plus 0.00931899641577061 DMol3 0.3111111111111111 DPD 0.00931899641577061 Discover 0.023655913978494623 Forcite 0.4867383512544803 GULP 0.04874551971326165 LUDI 0.0064516129032258064 LibDock 0.06666666666666667 LigandFit 0.00931899641577061 MCSS 0.0014336917562724014 MODELER 0.07813620071684588 MesoDyn 0.004301075268817204 Mesocite 0.010752688172043012 Mesoscale 0.022222222222222223 Morphology 0.025089605734767026 ONETEP 0.0035842293906810036 Polymorph 0.004301075268817204 QMERA 7.168458781362007E-4 QSAR 0.0035842293906810036 Quantum Mechanics 0.921146953405018 Reflex 0.07025089605734768 Reflex Plus 0.002150537634408602 Semi-empirical 0.015770609318996417 Sorption 0.045878136200716846 Synthia 7.168458781362007E-4 TURBOMOLE 0.0014336917562724014 VAMP 0.004301075268817204 Visualization 0.8193548387096774 X-Cell 0.0 ZDOCK 0.02939068100358423

Year

2022 0.0

Keywords

target 1.0 visualization 0.16930083043128852 between 0.1655504955799625 potential 0.15992499330297347 docking 0.13822662737744443 analysis 0.11786766675596036 energy 0.10393785159389231 experimental 0.07929279399946423 novel 0.0683096705062952 interaction 0.046879185641575144 cell 0.045004018215912135 well 0.038039110634878116 binding 0.035628181087597105 chemical 0.0350924189659791 activity 0.03160996517546209 surface 0.02946691668899009 synthesized 0.028395392445754085 mechanism 0.025448700776855078 adsorption 0.012858290918832038 higher 0.011251004553978034 stability 0.009375837128315028 promising 0.006964907581034021 synthesis 0.0061612643986070185 design 0.004286096972944013 effective 0.0
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