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Application

Discovery Studio 1.0 Materials Studio 0.989069171648164 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06504789485408777 Amorphous Cell 0.2762307863666741 Blends 0.0023390510135887724 CASTEP 0.37903764758298064 CDOCKER 0.1666295388728002 CHARMm 0.2621964802851415 COMPASS 0.35520160392069505 COMPASS III 0.08765872131877923 COSMObase 0.0038984183559812877 COSMOconf 0.004678102027177545 COSMOmic 1.1138338159946537E-4 COSMOperm 0.001225217197594119 COSMOplex 2.2276676319893073E-4 COSMOquick 0.001559367342392515 COSMOtherm 0.06371129427489419 Cantera 0.0 Catalyst 0.11784361773223435 Classical Simulations 1.0 Conformers 6.683002895967921E-4 Crystallization 0.07306749832924928 DFTB Plus 0.005569169079973268 DMol3 0.17086210737357987 DPD 0.0021162842503898416 Discover 0.0032301180663844953 Forcite 0.5321897972822455 GULP 0.022944976609489864 Kinetix 2.2276676319893073E-4 LUDI 0.003787034974381822 LibDock 0.07150813098685677 LigandFit 0.004900868790376476 MCSS 5.569169079973268E-4 MODELER 0.2016039206950323 MesoDyn 8.910670527957229E-4 Mesocite 0.003341501447983961 Mesoscale 0.00601470260637113 Modules 0.0 Morphology 0.016930274003118733 ONETEP 0.0010024504343951882 Polymorph 0.0020049008687903764 QMERA 1.1138338159946537E-4 QSAR 0.0010024504343951882 Quantum Mechanics 0.5380931165070172 Reflex 0.05335263978614391 Reflex Plus 0.0010024504343951882 Semi-empirical 0.007351303185564714 Sorption 0.05647137447092894 Synthia 0.001559367342392515 TURBOMOLE 4.4553352639786146E-4 VAMP 0.0014479839607930496 Visualization 0.8252394742704389 X-Cell 0.0014479839607930496 ZDOCK 0.028848295834261527

Year

2022 0.02839002267573696 2023 0.30412698412698413 2024 0.5515646258503402 2025 1.0 2026 0.3854875283446712 2027 0.0

Keywords

target 1.0 potential 0.29131075110456556 docking 0.22857142857142856 visualization 0.20633284241531663 analysis 0.20211094747177222 between 0.1570446735395189 novel 0.10544918998527246 energy 0.08723613156602847 binding 0.07633775159548356 promising 0.06823760432007854 cell 0.06485027000490919 activity 0.057339224349533625 stability 0.04148257241040746 interaction 0.036426116838487975 synthesized 0.03308787432498773 performance 0.03244968090328915 experimental 0.03043691703485518 development 0.023073146784486992 effective 0.022140402552773688 including 0.021993127147766325 mechanism 0.021845851742758958 protein 0.021404025527736868 synthesis 0.015365733922434953 design 0.005351006381934217 chemical 0.0
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