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Application

Discovery Studio 0.7835964574509049 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 0.07349926793557833 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 0.19637002341920376 potential 0.18489461358313816 docking 0.18173302107728337 between 0.1537470725995316 analysis 0.12892271662763466 energy 0.09250585480093677 novel 0.07096018735362998 experimental 0.050468384074941454 cell 0.050234192037470725 interaction 0.047072599531615925 binding 0.04555035128805621 activity 0.03676814988290398 synthesized 0.029156908665105386 mechanism 0.02505854800936768 chemical 0.02259953161592506 protein 0.014637002341920375 well 0.014637002341920375 stability 0.007962529274004685 promising 0.007142857142857143 synthesis 0.005269320843091335 higher 0.004332552693208431 surface 0.001990632318501171 design 8.19672131147541E-4 development 0.0
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