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Application

Discovery Studio 0.9026628895184136 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06938591210114389 Amorphous Cell 0.2891330523780855 Blends 0.0025586995785671285 CASTEP 0.39027694160144494 CDOCKER 0.15547862733293197 CHARMm 0.23931366646598434 COMPASS 0.3705599036724865 COMPASS III 0.0851896447922938 COSMObase 0.003160746538229982 COSMOconf 0.004966887417218543 COSMOmic 1.5051173991571343E-4 COSMOperm 0.0013546056592414208 COSMOplex 4.515352197471403E-4 COSMOquick 6.020469596628537E-4 COSMOtherm 0.06712823600240819 Cantera 0.0 Catalyst 0.11393738711619507 Classical Simulations 1.0 Conformers 7.525586995785671E-4 Crystallization 0.07570740517760385 DFTB Plus 0.006321493076459964 DMol3 0.17579771222155327 DPD 0.0030102347983142685 Discover 0.0039133052378085495 Forcite 0.5501204093919325 GULP 0.021824202287778448 Kinetix 3.0102347983142685E-4 LUDI 0.004063816977724262 LibDock 0.06396748946417821 LigandFit 0.005117399157134257 MCSS 4.515352197471403E-4 MODELER 0.18091511137868754 MesoDyn 6.020469596628537E-4 Mesocite 0.003762793497892836 Mesoscale 0.006622516556291391 Morphology 0.0179108970499699 ONETEP 0.0013546056592414208 Polymorph 0.001806140878988561 QMERA 3.0102347983142685E-4 QSAR 9.030704394942806E-4 Quantum Mechanics 0.5568934376881397 Reflex 0.055087296809151115 Reflex Plus 4.515352197471403E-4 Semi-empirical 0.008428657435279952 Sorption 0.057194461167971104 Synthia 0.0013546056592414208 TURBOMOLE 6.020469596628537E-4 VAMP 0.0015051173991571343 Visualization 0.7680614087898856 X-Cell 0.0015051173991571343 ZDOCK 0.028597230583985552

Year

2022 0.09393207332670173 2023 0.2978541992326275 2024 0.6762825067500355 2025 1.0 2026 0.5054710814267444 2027 0.0

Keywords

target 1.0 potential 0.27459488778900265 docking 0.2033358193775849 analysis 0.19262322869347073 visualization 0.18570750559359955 between 0.15567157095396297 novel 0.09363346667570682 energy 0.09159943046986237 cell 0.06685198996542138 binding 0.06434334531154655 promising 0.059868465658688724 activity 0.048816868940267134 stability 0.03925689877279816 performance 0.03620584446403146 experimental 0.032883585327818834 synthesized 0.02929012136416028 interaction 0.029154518950437316 mechanism 0.02291680791918096 effective 0.019526747576106854 development 0.017560512577123873 including 0.016679096887924606 synthesis 0.008068343616516375 protein 0.004339277239134857 design 0.0012882229303681607 chemical 0.0
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