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Application

Discovery Studio 1.0 Materials Studio 0.9754702592780885 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07135541140320929 Amorphous Cell 0.2784226698531922 Blends 0.0025606008876749744 CASTEP 0.39535677705701605 CDOCKER 0.17497439399112324 CHARMm 0.26732673267326734 COMPASS 0.3596790713554114 COMPASS III 0.07306247866165927 COSMObase 0.0027313076135199728 COSMOconf 0.0030727210652099694 COSMOmic 1.707067258449983E-4 COSMOperm 0.001194947080914988 COSMOplex 0.0 COSMOquick 0.0015363605326049847 COSMOtherm 0.059576647319904405 Cantera 0.0 Catalyst 0.12649368385114373 Classical Simulations 1.0 Conformers 0.0013656538067599864 Crystallization 0.07357459883919426 DFTB Plus 0.003584841242744964 DMol3 0.17599863434619323 DPD 0.002902014339364971 Discover 0.004267668146124957 Forcite 0.5320928644588597 GULP 0.02406964834414476 Kinetix 0.0 LUDI 0.006316148856264937 LibDock 0.0705018777739843 LigandFit 0.00699897575964493 MCSS 0.0013656538067599864 MODELER 0.1806077159440082 MesoDyn 0.001707067258449983 Mesocite 0.003926254694434961 Mesoscale 0.007681802663024923 Morphology 0.016217138955274837 ONETEP 8.535336292249915E-4 Polymorph 0.001194947080914988 QMERA 1.707067258449983E-4 QSAR 8.535336292249915E-4 Quantum Mechanics 0.5599180607715945 Reflex 0.05565039262546944 Reflex Plus 3.414134516899966E-4 Semi-empirical 0.0054626152270399455 Sorption 0.05155343120518949 Synthia 3.414134516899966E-4 TURBOMOLE 6.828269033799932E-4 VAMP 0.0013656538067599864 Visualization 0.8583134175486514 X-Cell 0.0013656538067599864 ZDOCK 0.029361556845339705

Year

2021 0.02849604221635884 2022 0.2842568161829376 2023 0.3808267370272647 2024 0.8575197889182058 2025 1.0 2026 0.372207563764292 2027 0.0

Keywords

target 1.0 potential 0.2694456697544479 docking 0.22070283781796796 visualization 0.20857226878400234 analysis 0.1837965005146302 between 0.14909572121746803 novel 0.10020585208057639 energy 0.07903249522129098 binding 0.07462137920893987 cell 0.057123952359947064 activity 0.051095427143067196 promising 0.04594912512865755 interaction 0.03705337450374945 stability 0.03036318188501691 experimental 0.02440817526834289 synthesized 0.023746507866490223 protein 0.01874724305249228 effective 0.018232612851051315 mechanism 0.01808557565063961 performance 0.017938538450227907 development 0.01198353183355389 including 0.010660197029848552 synthesis 0.01021908542861344 chemical 2.9407440082340834E-4 design 0.0
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