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Application

Discovery Studio 0.7847567981616239 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0767203513909224 Amorphous Cell 0.2691068814055637 Blends 0.004978038067349927 CASTEP 0.522108345534407 CDOCKER 0.14172767203513909 CHARMm 0.22166910688140556 COMPASS 0.4216691068814056 COMPASS III 0.027232796486090775 COSMObase 2.9282576866764275E-4 COSMOconf 0.001171303074670571 COSMOmic 2.9282576866764275E-4 COSMOperm 8.784773060029283E-4 COSMOplex 8.784773060029283E-4 COSMOquick 0.0020497803806734994 COSMOtherm 0.06530014641288433 Catalyst 0.15666178623718888 Classical Simulations 1.0 Conformers 0.004099560761346999 Crystallization 0.09048316251830162 DFTB Plus 0.006734992679355783 DMol3 0.2708638360175695 DPD 0.005270863836017569 Discover 0.012298682284040996 Forcite 0.5379209370424597 GULP 0.04333821376281113 LUDI 0.005563689604685213 LibDock 0.057979502196193265 LigandFit 0.00644216691068814 MCSS 2.9282576866764275E-4 MODELER 0.06207906295754027 MesoDyn 0.003513909224011713 Mesocite 0.007027818448023426 Mesoscale 0.013469985358711566 Morphology 0.02342606149341142 ONETEP 0.0026354319180087846 Polymorph 0.0020497803806734994 QMERA 8.784773060029283E-4 QSAR 0.002342606149341142 Quantum Mechanics 0.7727672035139093 Reflex 0.06559297218155198 Reflex Plus 0.001171303074670571 Reflex QPA 0.0 Semi-empirical 0.011420204978038067 Sorption 0.05241581259150805 Synthia 5.856515373352855E-4 TURBOMOLE 8.784773060029283E-4 VAMP 0.00322108345534407 Visualization 0.8562225475841874 X-Cell 0.0014641288433382138 ZDOCK 0.02342606149341142

Year

2023 0.0

Keywords

target 1.0 visualization 0.19729888432178508 potential 0.18449794480328832 docking 0.18261890780974752 between 0.15255431591309454 analysis 0.1287140340575455 energy 0.0913681738109219 novel 0.0708162066940693 cell 0.05073399882560188 experimental 0.04897240164415737 interaction 0.04627128596594245 binding 0.04603640634174985 activity 0.0361714621256606 synthesized 0.02900763358778626 mechanism 0.024544920728126834 chemical 0.022431004110393424 protein 0.015032295948326483 well 0.014445096887844979 stability 0.007398708162066941 promising 0.007046388725778039 synthesis 0.005637110980622431 higher 0.0034057545507927187 surface 0.0018790369935408103 design 3.5231943628890195E-4 development 0.0
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