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Application

Discovery Studio 0.9222565253999438 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07632263660017347 Amorphous Cell 0.23980919340849957 Blends 0.0039028620988725065 CASTEP 0.5585429314830876 CDOCKER 0.19297484822202948 CHARMm 0.24024284475281873 COMPASS 0.409366869037294 COMPASS III 0.011274934952298352 COSMObase 8.673026886383347E-4 COSMOconf 8.673026886383347E-4 COSMOmic 0.0 COSMOperm 0.0013009540329575022 COSMOquick 0.0017346053772766695 COSMOtherm 0.08412836079791847 Catalyst 0.16131830008673026 Classical Simulations 0.9705117085862967 Conformers 0.0017346053772766695 Crystallization 0.07892454466608846 DFTB Plus 0.00823937554206418 DMol3 0.2896790980052038 DPD 0.007805724197745013 Discover 0.019080659150043366 Forcite 0.4670424978317433 GULP 0.03686036426712923 LUDI 0.00823937554206418 LibDock 0.07805724197745013 LigandFit 0.009106678230702514 MCSS 0.0026019080659150044 MODELER 0.09930615784908933 MesoDyn 0.002168256721595837 Mesocite 0.009540329575021683 Mesoscale 0.016912402428447527 Morphology 0.019080659150043366 ONETEP 0.004336513443191674 Polymorph 0.003035559410234172 QSAR 0.0039028620988725065 Quantum Mechanics 0.8356461405030355 Reflex 0.05637467476149176 Reflex Plus 0.002168256721595837 Semi-empirical 0.013876843018213356 Sorption 0.040763226366001735 Synthia 4.336513443191674E-4 TURBOMOLE 4.336513443191674E-4 VAMP 0.005203816131830009 Visualization 1.0 X-Cell 4.336513443191674E-4 ZDOCK 0.038594969644405897

Year

2022 0.0

Keywords

target 1.0 visualization 0.22182103610675039 docking 0.18555729984301414 potential 0.16875981161695447 between 0.15698587127158556 analysis 0.11993720565149137 energy 0.08822605965463108 novel 0.07660910518053375 experimental 0.061381475667189954 binding 0.054945054945054944 activity 0.05447409733124019 interaction 0.054317111459968606 cell 0.041758241758241756 synthesized 0.030926216640502355 well 0.02684458398744113 synthesis 0.02543171114599686 mechanism 0.023547880690737835 chemical 0.021036106750392466 protein 0.01868131868131868 surface 0.013500784929356358 higher 0.0075353218210361065 design 0.007378335949764521 promising 0.007221350078492936 stability 0.00282574568288854 compound 0.0
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