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Application

Discovery Studio 1.0 Materials Studio 0.9808000885298511 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06756961259079904 Amorphous Cell 0.276180387409201 Blends 0.002799636803874092 CASTEP 0.41593523002421307 CDOCKER 0.1772094430992736 CHARMm 0.2598365617433414 COMPASS 0.37325968523002423 COMPASS III 0.07377421307506053 COSMObase 0.0028753026634382567 COSMOconf 0.0033292978208232446 COSMOmic 2.2699757869249396E-4 COSMOperm 0.001286319612590799 COSMOplex 3.026634382566586E-4 COSMOquick 0.001513317191283293 COSMOtherm 0.06348365617433414 Cantera 7.566585956416465E-5 Catalyst 0.12462167070217918 Classical Simulations 1.0 Conformers 0.0011349878934624697 Crystallization 0.07574152542372882 DFTB Plus 0.005977602905569007 DMol3 0.19060230024213076 DPD 0.0031779661016949155 Discover 0.004766949152542373 Forcite 0.5309473365617433 GULP 0.026785714285714284 Kinetix 2.2699757869249396E-4 LUDI 0.005826271186440678 LibDock 0.07165556900726393 LigandFit 0.007944915254237288 MCSS 0.0014376513317191284 MODELER 0.1911319612590799 MesoDyn 0.0015889830508474577 Mesocite 0.00423728813559322 Mesoscale 0.007793583535108959 Modules 0.0 Morphology 0.01740314769975787 ONETEP 0.0012106537530266344 Polymorph 0.0018916464891041162 QMERA 2.2699757869249396E-4 QSAR 0.001513317191283293 Quantum Mechanics 0.5939769975786925 Reflex 0.05606840193704601 Reflex Plus 6.809927360774818E-4 Semi-empirical 0.008020581113801453 Sorption 0.05440375302663438 Synthia 0.0014376513317191284 TURBOMOLE 5.296610169491525E-4 VAMP 0.0016646489104116223 Visualization 0.885593220338983 X-Cell 0.0012106537530266344 ZDOCK 0.030644673123486683

Year

2020 8.486803021301876E-5 2021 0.21335822795552914 2022 0.2922854960536366 2023 0.41432572349995755 2024 1.0 2025 0.9706356615462955 2026 0.36077399643554275 2027 0.0

Keywords

target 1.0 potential 0.26098543735524604 docking 0.21425172118404773 visualization 0.21152320822361115 analysis 0.17735334242837653 between 0.15073447761667566 novel 0.09873409689393699 energy 0.08096703575621055 binding 0.06789555506202608 cell 0.056156603953171104 activity 0.05079475871696437 promising 0.04292648878454266 interaction 0.03886544623877661 experimental 0.02788794060725277 synthesized 0.026872679970811258 stability 0.025191154541705004 protein 0.018274691455947206 mechanism 0.01640280465750817 effective 0.015736539864843427 development 0.015070275072178686 performance 0.014181922015292364 synthesis 0.011961039373076557 including 0.006884736190868999 chemical 0.0023795171166597923 design 0.0
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