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Application

Discovery Studio 1.0 Materials Studio 0.9734377399048058 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06582847797199223 Amorphous Cell 0.27772666871102936 Blends 0.002351017070428294 CASTEP 0.3855667995502402 CDOCKER 0.16998875600531535 CHARMm 0.26280282122048454 COMPASS 0.36031892057651027 COMPASS III 0.0845343964019217 COSMObase 0.0037820709393846467 COSMOconf 0.004395379740365941 COSMOmic 1.0221813349688235E-4 COSMOperm 0.0012266176019625882 COSMOplex 3.0665440049064706E-4 COSMOquick 0.001431053868956353 COSMOtherm 0.06337524276806705 Cantera 0.0 Catalyst 0.12347950526423387 Classical Simulations 1.0 Conformers 7.155269344781764E-4 Crystallization 0.072983747316774 DFTB Plus 0.005724215475825412 DMol3 0.17407748134519063 DPD 0.002657671470918941 Discover 0.0038842890728815293 Forcite 0.5305121128488194 GULP 0.024123479505264233 Kinetix 2.044362669937647E-4 LUDI 0.004088725339875294 LibDock 0.07247265664928959 LigandFit 0.005110906674844117 MCSS 6.133088009812941E-4 MODELER 0.19544107124603904 MesoDyn 0.0012266176019625882 Mesocite 0.003986507206378411 Mesoscale 0.006950833077788 Modules 0.0 Morphology 0.01696821016048247 ONETEP 0.0010221813349688236 Polymorph 0.002044362669937647 QMERA 2.044362669937647E-4 QSAR 0.0010221813349688236 Quantum Mechanics 0.54819584994378 Reflex 0.05335786568537258 Reflex Plus 9.199632014719411E-4 Semi-empirical 0.007564141878769293 Sorption 0.054891137687825824 Synthia 0.0016354901359501176 TURBOMOLE 4.088725339875294E-4 VAMP 0.001431053868956353 Visualization 0.847081672288664 X-Cell 0.001431053868956353 ZDOCK 0.02994991311458653

Year

2021 0.0028951415905184115 2022 0.13733827920021713 2023 0.3138514430471365 2024 0.6558400434271239 2025 1.0 2026 0.3845109924907265 2027 0.0

Keywords

target 1.0 potential 0.28388701367916147 docking 0.22730502753597442 visualization 0.2094954698880796 analysis 0.1951501154734411 between 0.1557559069106413 novel 0.104059335583585 energy 0.08513945638656956 binding 0.07532421389234323 cell 0.06395452122934801 promising 0.06097885947770474 activity 0.056315508971398115 stability 0.037528868360277134 interaction 0.037173565464558536 synthesized 0.03304316930182981 experimental 0.03037839758394031 performance 0.026914194350683956 protein 0.023227926807603484 development 0.02154023805294013 effective 0.02074080653757328 mechanism 0.020074613608100905 including 0.01878664061112098 synthesis 0.01505596020607568 design 0.0042192218866583765 chemical 0.0
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