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Application

Discovery Studio 0.9924653405666064 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07621550591327202 Amorphous Cell 0.22558037669732808 Blends 0.003942181340341655 CASTEP 0.5317564607971966 CDOCKER 0.19491896627244854 CHARMm 0.24266316250547526 COMPASS 0.38195356986421375 COMPASS III 0.011388523872098117 COSMObase 4.380201489268506E-4 COSMOconf 4.380201489268506E-4 COSMOmic 0.0 COSMOperm 0.001314060446780552 COSMOquick 8.760402978537013E-4 COSMOtherm 0.08278580814717477 Catalyst 0.16294349540078842 Classical Simulations 0.9391151992991678 Conformers 0.001314060446780552 Crystallization 0.08103372755146737 DFTB Plus 0.007446342531756461 DMol3 0.2671922908453789 DPD 0.006132282084975909 Discover 0.016206745510293472 Forcite 0.44152431011826543 GULP 0.038545773105562856 LUDI 0.008322382829610162 LibDock 0.07884362680683311 LigandFit 0.009198423127463863 MCSS 0.002628120893561104 MODELER 0.10030661410424879 MesoDyn 8.760402978537013E-4 Mesocite 0.007446342531756461 Mesoscale 0.011826544021024968 Morphology 0.016644765659220323 ONETEP 0.002628120893561104 Polymorph 0.0030661410424879547 QMERA 0.0 QSAR 0.0030661410424879547 Quantum Mechanics 0.7844940867279895 Reflex 0.06044678055190539 Reflex Plus 0.0017520805957074025 Semi-empirical 0.01401664476565922 Sorption 0.039859833552343404 Synthia 4.380201489268506E-4 TURBOMOLE 4.380201489268506E-4 VAMP 0.0056942619360490585 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03898379325448971

Year

2022 0.0

Keywords

target 1.0 visualization 0.2290001631055293 docking 0.19556352960365356 potential 0.17370738868047628 between 0.15201435328657642 analysis 0.12020877507747513 energy 0.0817158701679987 novel 0.07763823193606263 binding 0.05920730712771163 experimental 0.057576251834937205 activity 0.055455879954330455 interaction 0.053009297015168814 cell 0.03865601043875387 synthesized 0.032621105855488504 well 0.027564834447887782 mechanism 0.02332409068667428 synthesis 0.022508563040287064 protein 0.02218235198173218 chemical 0.021693035393899853 surface 0.006198010112542815 design 0.006034904583265372 promising 0.003751427173381178 higher 0.003588321644103735 compound 0.0021203718806067527 drug 0.0
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