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Application

Discovery Studio 1.0 Materials Studio 0.9742730720606827 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06617017633966786 Amorphous Cell 0.2774353706557096 Blends 0.002482451634994008 CASTEP 0.401472350624893 CDOCKER 0.174884437596302 CHARMm 0.26168464304057526 COMPASS 0.36586200992980655 COMPASS III 0.07764081492895052 COSMObase 0.0031672658791302858 COSMOconf 0.0036808765622324945 COSMOmic 8.560178051703475E-5 COSMOperm 0.0012840267077555213 COSMOplex 2.5680534155110427E-4 COSMOquick 0.0012840267077555213 COSMOtherm 0.06343091936312276 Cantera 8.560178051703475E-5 Catalyst 0.12472179421331964 Classical Simulations 1.0 Conformers 9.416195856873823E-4 Crystallization 0.07430234548878617 DFTB Plus 0.005992124636192433 DMol3 0.18181818181818182 DPD 0.002824858757062147 Discover 0.004280089025851737 Forcite 0.5302174285225133 GULP 0.025680534155110426 Kinetix 2.5680534155110427E-4 LUDI 0.00539291217257319 LibDock 0.0724191063174114 LigandFit 0.00667693888032871 MCSS 0.0011128231467214518 MODELER 0.19388803287108372 MesoDyn 0.001369628488272556 Mesocite 0.0039376819037835985 Mesoscale 0.007190549563430919 Modules 0.0 Morphology 0.018061975689094335 ONETEP 9.416195856873823E-4 Polymorph 0.0019688409518917992 QMERA 1.712035610340695E-4 QSAR 0.0012840267077555213 Quantum Mechanics 0.571563088512241 Reflex 0.05384351994521486 Reflex Plus 7.704160246533128E-4 Semi-empirical 0.008046567368601267 Sorption 0.05427152884780003 Synthia 0.0015408320493066256 TURBOMOLE 5.992124636192433E-4 VAMP 0.001712035610340695 Visualization 0.8716829310049649 X-Cell 0.0011984249272384865 ZDOCK 0.030131826741996232

Year

2020 0.008772699359592948 2021 0.12632687077813842 2022 0.189051671199228 2023 0.40766733924028425 2024 0.829546451443109 2025 1.0 2026 0.37292744977629616 2027 0.0

Keywords

target 1.0 potential 0.2691325600058364 docking 0.21934048296490843 visualization 0.21036696578390604 analysis 0.18231560516524403 between 0.14937623112278398 novel 0.0994017655212665 energy 0.08079813234113957 binding 0.06981834099365287 cell 0.057379441161450356 activity 0.05168891807105858 promising 0.047457503465382654 interaction 0.036039979572481215 synthesized 0.0280148829065441 stability 0.027175895527832495 experimental 0.02633690814912089 protein 0.01969796454366382 performance 0.01699861384693952 development 0.016013715619756327 mechanism 0.015575983074341578 effective 0.015247683665280514 synthesis 0.011198657620194062 including 0.009885459983949806 chemical 9.84898227183191E-4 design 0.0
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