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Application

Discovery Studio 1.0 Materials Studio 0.9264437689969605 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06640378548895899 Amorphous Cell 0.273186119873817 Blends 0.0027602523659305996 CASTEP 0.4123028391167192 CDOCKER 0.18753943217665614 CHARMm 0.2715299684542587 COMPASS 0.36821766561514196 COMPASS III 0.07121451104100947 COSMObase 0.0026813880126182964 COSMOconf 0.003391167192429022 COSMOmic 2.3659305993690852E-4 COSMOperm 0.0013406940063091482 COSMOplex 3.154574132492114E-4 COSMOquick 0.0015772870662460567 COSMOtherm 0.06419558359621451 Cantera 7.886435331230284E-5 Catalyst 0.12933753943217666 Classical Simulations 1.0 Conformers 0.0013406940063091482 Crystallization 0.07563091482649842 DFTB Plus 0.006309148264984227 DMol3 0.18848580441640378 DPD 0.002996845425867508 Discover 0.0049684542586750785 Forcite 0.5238170347003155 GULP 0.02634069400630915 Kinetix 2.3659305993690852E-4 LUDI 0.006072555205047319 LibDock 0.07444794952681388 LigandFit 0.008280757097791799 MCSS 0.0015772870662460567 MODELER 0.1973186119873817 MesoDyn 0.0018138801261829653 Mesocite 0.003864353312302839 Mesoscale 0.007649842271293375 Modules 0.0 Morphology 0.01782334384858044 ONETEP 0.0011829652996845426 Polymorph 0.0018927444794952682 QMERA 1.577287066246057E-4 QSAR 0.001498422712933754 Quantum Mechanics 0.5885646687697161 Reflex 0.0555993690851735 Reflex Plus 6.309148264984228E-4 Semi-empirical 0.008517350157728707 Sorption 0.05402208201892744 Synthia 0.001498422712933754 TURBOMOLE 6.309148264984228E-4 VAMP 0.0018927444794952682 Visualization 0.9202681388012618 X-Cell 0.0011041009463722397 ZDOCK 0.032097791798107254

Year

2020 0.02015355086372361 2021 0.23512476007677544 2022 0.2948002093875414 2023 0.44285465014831615 2024 1.0 2025 0.9557668818705287 2026 0.30518234165067176 2027 0.0

Keywords

target 1.0 potential 0.25 docking 0.21202766115090146 visualization 0.2090330945912571 analysis 0.16828229192393185 between 0.14182514201037294 novel 0.09764756730056805 energy 0.07220918745369227 binding 0.06973944183749074 activity 0.05319214620894048 cell 0.05208076068164979 promising 0.0400098789824648 interaction 0.03892936527537664 synthesized 0.027877253642874782 experimental 0.024913558903432945 protein 0.021857248703383552 stability 0.020961965917510497 mechanism 0.01617683378612003 synthesis 0.01540503828105705 development 0.015003704618424303 effective 0.014509755495183995 performance 0.007810570511237343 including 0.005773030377871079 chemical 0.0033959002222771054 design 0.0
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