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Application

Discovery Studio 0.9391443605582247 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0721986278993793 Amorphous Cell 0.26494609604704344 Blends 0.005227049983665469 CASTEP 0.4756615485135577 CDOCKER 0.15811826200588044 CHARMm 0.2473048023521725 COMPASS 0.4139170205815093 COMPASS III 0.02744201241424371 COSMObase 3.266906239790918E-4 COSMOconf 6.533812479581836E-4 COSMOmic 3.266906239790918E-4 COSMOperm 6.533812479581836E-4 COSMOplex 6.533812479581836E-4 COSMOquick 0.001633453119895459 COSMOtherm 0.07056517477948383 Catalyst 0.17477948382881411 Classical Simulations 1.0 Conformers 0.004573668735707285 Crystallization 0.08689970597843842 DFTB Plus 0.006860503103560928 DMol3 0.24599803985625612 DPD 0.004573668735707285 Discover 0.011760862463247305 Forcite 0.5262985952303169 GULP 0.03822280300555374 LUDI 0.006207121855602744 LibDock 0.06468474354786018 LigandFit 0.007187193727540019 MCSS 3.266906239790918E-4 MODELER 0.06925841228356747 MesoDyn 0.003266906239790918 Mesocite 0.006533812479581836 Mesoscale 0.01274093433518458 Morphology 0.02221496243057824 ONETEP 0.0019601437438745506 Polymorph 0.0019601437438745506 QMERA 6.533812479581836E-4 QSAR 0.0022868343678536427 Quantum Mechanics 0.704671675922901 Reflex 0.06305129042796472 Reflex Plus 0.0013067624959163672 Reflex QPA 0.0 Semi-empirical 0.01110748121528912 Sorption 0.04933028422084286 Synthia 3.266906239790918E-4 TURBOMOLE 9.800718719372753E-4 VAMP 0.0029402156158118264 Visualization 0.9454426657954916 X-Cell 0.0013067624959163672 ZDOCK 0.026135249918327344

Year

2023 0.0

Keywords

target 1.0 visualization 0.2228505333504691 docking 0.2096131602621771 potential 0.1958617144325922 between 0.14612517671250483 analysis 0.13648631281326307 energy 0.08045238401233774 novel 0.07595424752602493 binding 0.05770466521012723 interaction 0.04986505590541061 cell 0.04819431949620871 activity 0.043824701195219126 experimental 0.04125433748875466 synthesized 0.03058732810692713 protein 0.02621770980593754 mechanism 0.020948464207685386 chemical 0.016450327721372573 well 0.00951034571391852 synthesis 0.00873923660197918 promising 0.007711091119393394 stability 0.007454054748746948 compound 0.005140727412928929 development 0.0015422182238786788 higher 3.855545559696697E-4 effective 0.0
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