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Application

Discovery Studio 1.0 Materials Studio 0.9780764713558658 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0674424755355726 Amorphous Cell 0.273913426783038 Blends 0.0026448029621793175 CASTEP 0.40095212906638455 CDOCKER 0.17385171471392047 CHARMm 0.262276293749449 COMPASS 0.3645420082870493 COMPASS III 0.07863880807546504 COSMObase 0.003173763554615181 COSMOconf 0.003790884245790355 COSMOmic 2.644802962179318E-4 COSMOperm 0.0013224014810896587 COSMOplex 2.644802962179318E-4 COSMOquick 0.00149872167856828 COSMOtherm 0.06224102970995327 Cantera 0.0 Catalyst 0.12642158159217137 Classical Simulations 1.0 Conformers 0.0010579211848717272 Crystallization 0.07564136471832848 DFTB Plus 0.005377766023097946 DMol3 0.18134532310676188 DPD 0.002556642863440007 Discover 0.003790884245790355 Forcite 0.5316053953980429 GULP 0.024949307943224898 Kinetix 2.644802962179318E-4 LUDI 0.005113285726880014 LibDock 0.07176232037379882 LigandFit 0.006612007405448294 MCSS 8.816009873931059E-4 MODELER 0.1865467689323812 MesoDyn 0.0012342413823503483 Mesocite 0.003790884245790355 Mesoscale 0.006964647800405536 Modules 0.0 Morphology 0.017279379352904876 ONETEP 0.0012342413823503483 Polymorph 0.001939522172264833 QMERA 1.7632019747862118E-4 QSAR 0.0010579211848717272 Quantum Mechanics 0.5702195186458608 Reflex 0.055893502600722914 Reflex Plus 7.934408886537953E-4 Semi-empirical 0.007317288195362779 Sorption 0.055981662699462226 Synthia 0.0014105615798289694 TURBOMOLE 5.289605924358636E-4 VAMP 0.0015868817773075905 Visualization 0.8701401745569955 X-Cell 0.0012342413823503483 ZDOCK 0.03015075376884422

Year

2021 0.06818181818181818 2022 0.20875745875745877 2023 0.3735521235521235 2024 0.8226570726570727 2025 1.0 2026 0.37302562302562303 2027 0.0

Keywords

target 1.0 potential 0.27282633200571127 docking 0.22172540768016832 visualization 0.21267002329600962 analysis 0.18783347110543322 between 0.15273915984068534 novel 0.1016758097242053 energy 0.08394078304651686 binding 0.0728939655820245 cell 0.05940482452844368 activity 0.05485834523183287 promising 0.051589389043360634 interaction 0.03926504847072969 stability 0.033328323438791614 synthesized 0.02953332832343879 experimental 0.02810550837904862 performance 0.021154279702412265 protein 0.02002705343052529 mechanism 0.019576162921770498 effective 0.019275569249267304 development 0.017659878259562636 synthesis 0.014691515743593597 including 0.012737656872322837 design 0.0016156909897046667 chemical 0.0
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