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Application

Discovery Studio 1.0 Materials Studio 0.5801173201605434 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06027554535017222 Amorphous Cell 0.1888633754305396 Blends 5.74052812858783E-4 CASTEP 0.3208955223880597 CDOCKER 0.3375430539609644 CHARMm 0.417910447761194 COMPASS 0.29506314580941445 COMPASS III 0.06486796785304248 COSMObase 0.002296211251435132 COSMOconf 5.74052812858783E-4 COSMOperm 5.74052812858783E-4 COSMOplex 0.0 COSMOquick 0.002296211251435132 COSMOtherm 0.04477611940298507 Catalyst 0.25430539609644087 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06142365097588978 DFTB Plus 0.001722158438576349 DMol3 0.15097588978185994 DPD 0.001722158438576349 Discover 0.001148105625717566 Forcite 0.4288174512055109 GULP 0.009184845005740528 LUDI 0.008610792192881744 LibDock 0.11997703788748565 LigandFit 0.010907003444316877 MCSS 0.001148105625717566 MODELER 0.3048220436280138 MesoDyn 0.001148105625717566 Mesocite 0.0028702640642939152 Mesoscale 0.0057405281285878304 Morphology 0.008610792192881744 ONETEP 0.0 Polymorph 0.002296211251435132 QSAR 5.74052812858783E-4 Quantum Mechanics 0.46383467278989665 Reflex 0.04936854190585534 Reflex Plus 5.74052812858783E-4 Semi-empirical 0.0028702640642939152 Sorption 0.02468427095292767 Synthia 5.74052812858783E-4 TURBOMOLE 0.0 VAMP 5.74052812858783E-4 Visualization 0.9322617680826636 X-Cell 0.001148105625717566 ZDOCK 0.03444316877152698

Year

2022 0.07517084282460136 2023 0.3020501138952164 2024 0.8091116173120729 2025 1.0 2026 0.25740318906605925 2027 0.0

Keywords

novel 1.0 target 0.9536024983270132 potential 0.3528886906089672 docking 0.30269908543386126 analysis 0.17465982600936872 visualization 0.16729868391701985 synthesized 0.13116216819094356 promising 0.11220165068034799 synthesis 0.09190274369841624 activity 0.08855677002007584 binding 0.08855677002007584 development 0.0820878875752844 between 0.0760651349542717 compound 0.06223511041713139 design 0.028998438545616775 effective 0.021637296453267903 protein 0.017622128039259423 drug 0.017175998215480704 stability 0.016506803479812624 vitro 0.014276154360919028 cell 0.008922596475574392 therapeutic 0.005576622797233995 potent 0.0028998438545616775 inhibition 0.0015614543832255187 including 0.0
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