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Application

Discovery Studio 1.0 Materials Studio 0.9885923600209314 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06431646932185145 Amorphous Cell 0.27731431646932186 Blends 0.00228740581270183 CASTEP 0.36598493003229277 CDOCKER 0.16617330462863295 CHARMm 0.2634553283100108 COMPASS 0.35145317545748117 COMPASS III 0.09432185145317545 COSMObase 0.004305705059203444 COSMOconf 0.005247578040904198 COSMOmic 1.3455328310010763E-4 COSMOperm 0.0012109795479009688 COSMOplex 2.6910656620021526E-4 COSMOquick 0.001480086114101184 COSMOtherm 0.0632400430570506 Catalyst 0.10589343379978472 Classical Simulations 1.0 Conformers 4.0365984930032295E-4 Crystallization 0.0703713670613563 DFTB Plus 0.005382131324004306 DMol3 0.16334768568353067 DPD 0.002152852529601722 Discover 0.003363832077502691 Forcite 0.5332346609257266 GULP 0.021528525296017224 Kinetix 2.6910656620021526E-4 LUDI 0.0030947255113024756 LibDock 0.07144779332615715 LigandFit 0.004440258342303553 MCSS 4.0365984930032295E-4 MODELER 0.22860602798708288 MesoDyn 8.073196986006459E-4 Mesocite 0.002960172228202368 Mesoscale 0.005651237890204521 Modules 0.0 Morphology 0.016280947255113025 ONETEP 8.073196986006459E-4 Polymorph 0.0020182992465016146 QMERA 1.3455328310010763E-4 QSAR 6.727664155005383E-4 Quantum Mechanics 0.5185683530678149 Reflex 0.050995694294940795 Reflex Plus 0.0012109795479009688 Semi-empirical 0.006727664155005382 Sorption 0.05664693218514532 Synthia 0.001480086114101184 TURBOMOLE 4.0365984930032295E-4 VAMP 9.418729817007535E-4 Visualization 0.7892895586652314 X-Cell 0.001480086114101184 ZDOCK 0.02852529601722282

Year

2022 0.0 2023 0.1753260412284392 2024 0.5277660917122423 2025 1.0 2026 0.44762305427008836 2027 7.36222128733698E-4

Keywords

target 1.0 potential 0.2946184250532077 docking 0.22426269382791122 analysis 0.20468227424749164 visualization 0.1916083916083916 between 0.15433262389784128 novel 0.10124657950744907 energy 0.08336880510793554 binding 0.0746731529340225 promising 0.07224080267558529 cell 0.06153846153846154 activity 0.053815749467923384 stability 0.038309516570386136 performance 0.032107023411371234 interaction 0.027303131650957737 synthesized 0.0246275463666768 experimental 0.022134387351778657 effective 0.019823654606263303 development 0.01964122833688051 including 0.01939799331103679 mechanism 0.016844025539677714 protein 0.014046822742474917 synthesis 0.005107935542718152 enhanced 0.0016418364244451201 design 0.0
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