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Application

Discovery Studio 1.0 Materials Studio 0.7218676519986563 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05287713841368585 Amorphous Cell 0.1472265422498704 Blends 0.0036288232244686366 CASTEP 0.43182996371176774 CDOCKER 0.21202695697252463 CHARMm 0.2524624157594609 COMPASS 0.2581648522550544 COMPASS III 0.0010368066355624676 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 5.184033177812338E-4 COSMOplex 5.184033177812338E-4 COSMOquick 5.184033177812338E-4 COSMOtherm 0.05857957490927942 Catalyst 0.07309486780715396 Classical Simulations 0.7501296008294454 Conformers 0.0010368066355624676 Crystallization 0.052358735095904614 DFTB Plus 0.004665629860031105 DMol3 0.2177293934681182 DPD 0.006220839813374806 Discover 0.012441679626749611 Forcite 0.27786417833074134 GULP 0.04872991187143598 LUDI 0.00933125972006221 LibDock 0.0720580611715915 LigandFit 0.017107309486780714 MCSS 0.004665629860031105 MODELER 0.28045619491964746 MesoDyn 0.00414722654224987 Mesocite 0.00829445308449974 Mesoscale 0.01503369621565578 Morphology 0.01658890616899948 ONETEP 0.002592016588906169 Polymorph 0.002073613271124935 QMERA 0.0010368066355624676 QSAR 0.002073613271124935 Quantum Mechanics 0.6324520476931053 Reflex 0.03265940902021773 Reflex Plus 0.002592016588906169 Semi-empirical 0.01088646967340591 Sorption 0.02436495593571799 Synthia 5.184033177812338E-4 TURBOMOLE 0.0 VAMP 0.00414722654224987 Visualization 1.0 ZDOCK 0.03473302229134267

Year

2021 0.0

Keywords

target 1.0 visualization 0.2653456816713332 docking 0.22765453370665517 potential 0.19362481154426017 between 0.14624165410295067 analysis 0.1348266207193625 novel 0.09218177902218393 binding 0.07796683178979108 activity 0.06849020030152918 interaction 0.044367865604135255 protein 0.04070643980185225 experimental 0.038552659918156366 well 0.035537368080982124 energy 0.03489123411587336 synthesized 0.02347620073228516 drug 0.02046090889511092 cell 0.01744561705793668 synthesis 0.015507215162610381 compound 0.014861081197501616 chemical 0.013353435278914494 mechanism 0.008399741546413956 promising 0.005384449709239716 development 0.003661425802283007 inhibition 0.0032306698255438293 design 0.0
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