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Application

Discovery Studio 0.9937258687258688 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0717199184228416 Amorphous Cell 0.26002719238613187 Blends 0.005438477226376614 CASTEP 0.469068660774983 CDOCKER 0.16451393609789258 CHARMm 0.25696804894629505 COMPASS 0.40720598232494903 COMPASS III 0.026512576478585997 COSMObase 3.399048266485384E-4 COSMOconf 3.399048266485384E-4 COSMOmic 3.399048266485384E-4 COSMOperm 6.798096532970768E-4 COSMOplex 6.798096532970768E-4 COSMOquick 0.001699524133242692 COSMOtherm 0.06866077498300475 Catalyst 0.18184908225696805 Classical Simulations 1.0 Conformers 0.004418762746430999 Crystallization 0.08361658735554045 DFTB Plus 0.00645819170632223 DMol3 0.24269204622705642 DPD 0.004418762746430999 Discover 0.010876954452753228 Forcite 0.521414004078858 GULP 0.038069340584636305 LUDI 0.00645819170632223 LibDock 0.06730115567641061 LigandFit 0.007477906186267845 MCSS 3.399048266485384E-4 MODELER 0.07205982324949015 MesoDyn 0.003399048266485384 Mesocite 0.006798096532970768 Mesoscale 0.01291638341264446 Morphology 0.02107409925220938 ONETEP 0.001699524133242692 Polymorph 0.0020394289598912306 QMERA 6.798096532970768E-4 QSAR 0.001699524133242692 Quantum Mechanics 0.6944255608429639 Reflex 0.061182868796736914 Reflex Plus 6.798096532970768E-4 Reflex QPA 0.0 Semi-empirical 0.010876954452753228 Sorption 0.047926580557443914 Synthia 3.399048266485384E-4 TURBOMOLE 3.399048266485384E-4 VAMP 0.0030591434398368456 Visualization 0.9802855200543847 X-Cell 0.0013596193065941536 ZDOCK 0.027192386131883073

Year

2023 0.0

Keywords

target 1.0 visualization 0.2323058605635666 docking 0.2196057679587247 potential 0.20082021431406272 between 0.1461833575869824 analysis 0.14036248180976318 novel 0.08043391983066543 energy 0.07567138510384971 binding 0.0629712924990078 interaction 0.051858711469771133 activity 0.04788993253075804 cell 0.046699298849054105 experimental 0.03862944833972748 synthesized 0.032543987299907394 protein 0.030956475724302157 mechanism 0.020902235745468976 chemical 0.01508135996824977 synthesis 0.010054239978833179 well 0.008731313665828813 stability 0.008599021034528377 compound 0.008334435771927504 promising 0.008334435771927504 development 0.0025135599947082947 drug 0.0023812673634078583 effective 0.0
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