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Application

Discovery Studio 0.8975698816419038 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06919048845394454 Amorphous Cell 0.2819984548029874 Blends 0.002661172632844021 CASTEP 0.4162589063438922 CDOCKER 0.15864022662889518 CHARMm 0.24122242252553866 COMPASS 0.37788651386385097 COMPASS III 0.07734569490943428 COSMObase 0.003176238303717057 COSMOconf 0.0036913039745900935 COSMOmic 2.575328354365182E-4 COSMOperm 0.0012876641771825909 COSMOplex 4.292213923941969E-4 COSMOquick 0.0017168855695767877 COSMOtherm 0.06541334020087561 Cantera 8.584427847883938E-5 Catalyst 0.10241222422525538 Classical Simulations 1.0 Conformers 0.0012018198987037514 Crystallization 0.07725985063095545 DFTB Plus 0.006094943771997596 DMol3 0.1933213151343463 DPD 0.0030045497467593783 Discover 0.005064812430251524 Forcite 0.5439951927204052 GULP 0.027298480556270925 Kinetix 2.575328354365182E-4 LUDI 0.004807279594815006 LibDock 0.0647265859730449 LigandFit 0.006094943771997596 MCSS 0.0012018198987037514 MODELER 0.1900592325521504 MesoDyn 0.0018885741265344666 Mesocite 0.003948836810026612 Mesoscale 0.007640140784616705 Modules 0.0 Morphology 0.018370675594471628 ONETEP 0.0012876641771825909 Polymorph 0.0020602626834921455 QMERA 4.292213923941969E-4 QSAR 0.0012876641771825909 Quantum Mechanics 0.5965318911494549 Reflex 0.056657223796033995 Reflex Plus 8.584427847883938E-4 Semi-empirical 0.0084985835694051 Sorption 0.058374109365610785 Synthia 0.0016310412910979482 TURBOMOLE 6.86754227830715E-4 VAMP 0.0018027298480556271 Visualization 0.7953472401064469 X-Cell 0.0012876641771825909 ZDOCK 0.027298480556270925

Year

2020 0.03726046841731725 2021 0.1335166784953868 2022 0.1542760823278921 2023 0.41589779985805536 2024 0.7584279630943932 2025 1.0 2026 0.3771291696238467 2027 0.0

Keywords

target 1.0 potential 0.2575598014141718 docking 0.19441101248683618 visualization 0.1890326463066045 analysis 0.17526703776139613 between 0.15597261922671882 novel 0.0935008274409508 energy 0.08962689935309162 cell 0.05927486083947645 binding 0.05886114036407402 promising 0.04693846848202197 activity 0.04227471039566722 interaction 0.03283436136602979 experimental 0.03132992327365729 stability 0.026854219948849106 performance 0.024898450428764856 synthesized 0.023243568527155107 mechanism 0.01643598615916955 effective 0.014028885211373552 development 0.013126222355950052 protein 0.00865051903114187 including 0.007785467128027681 synthesis 0.005378366180231684 chemical 1.5044380923724988E-4 design 0.0
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