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Application

Discovery Studio 0.8144590936872436 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06728511038046031 Amorphous Cell 0.28839830906528885 Blends 0.0024659464537341476 CASTEP 0.39102865194927194 CDOCKER 0.14596054485674026 CHARMm 0.2303898543917332 COMPASS 0.36965711601690937 COMPASS III 0.09124001878816346 COSMObase 0.004109910756223579 COSMOconf 0.004579614842649131 COSMOmic 1.1742602160638798E-4 COSMOperm 0.0014091122592766556 COSMOplex 1.1742602160638798E-4 COSMOquick 0.0015265382808830436 COSMOtherm 0.06528886801315172 Cantera 0.0 Catalyst 0.08971348050728041 Classical Simulations 1.0 Conformers 7.045561296383278E-4 Crystallization 0.07656176608736497 DFTB Plus 0.005284170972287459 DMol3 0.17660873649600753 DPD 0.0023485204321277596 Discover 0.0034053546265852513 Forcite 0.5554250821982151 GULP 0.024072334429309537 Kinetix 2.3485204321277596E-4 LUDI 0.0029356505401596992 LibDock 0.060122123062470646 LigandFit 0.003875058713010803 MCSS 3.522780648191639E-4 MODELER 0.19962423673085955 MesoDyn 9.394081728511038E-4 Mesocite 0.0035227806481916393 Mesoscale 0.006458431188351339 Modules 0.0 Morphology 0.018201033348990137 ONETEP 0.0010568341944574918 Polymorph 0.0018788163457022077 QMERA 1.1742602160638798E-4 QSAR 0.0010568341944574918 Quantum Mechanics 0.5563644903710663 Reflex 0.05577736026303429 Reflex Plus 0.0010568341944574918 Semi-empirical 0.007162987317989667 Sorption 0.059417566932832316 Synthia 0.0014091122592766556 TURBOMOLE 4.697040864255519E-4 VAMP 0.0015265382808830436 Visualization 0.6921089713480507 X-Cell 0.0015265382808830436 ZDOCK 0.024424612494128698

Year

2023 0.14073121440382141 2024 0.5331618592687856 2025 1.0 2026 0.3905015616388021 2027 0.0

Keywords

target 1.0 potential 0.2817390346043641 analysis 0.19396076702666962 docking 0.18811990301961648 visualization 0.16426052457571083 between 0.16045845272206305 energy 0.09968040555433105 novel 0.09571302622878554 cell 0.06871280581882301 promising 0.06854749834692528 binding 0.05692087282345162 performance 0.048214679303504517 stability 0.041767687899493054 activity 0.04000440819925061 experimental 0.03278598192638307 interaction 0.02551245316288296 synthesized 0.025292043200352655 effective 0.02132466387480714 including 0.020938946440379105 mechanism 0.019836896627727574 development 0.017743001983689662 enhanced 0.007824553669825877 synthesis 0.003526559400484902 design 0.002700022040996253 protein 0.0
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