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Application

Discovery Studio 1.0 Materials Studio 0.04622458857696031 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.005248091603053435 Amorphous Cell 0.019561068702290078 Blends 0.0 CASTEP 0.02480916030534351 CDOCKER 0.24427480916030533 CHARMm 0.3859732824427481 COMPASS 0.03482824427480916 COMPASS III 0.004293893129770993 COSMObase 0.0 COSMOperm 0.0 COSMOtherm 0.004293893129770993 Catalyst 0.14551526717557253 Classical Simulations 0.44656488549618323 Crystallization 0.0057251908396946565 DFTB Plus 9.541984732824427E-4 DMol3 0.007633587786259542 DPD 4.7709923664122136E-4 Forcite 0.03816793893129771 GULP 0.0033396946564885495 LUDI 0.004293893129770993 LibDock 0.10687022900763359 LigandFit 0.00715648854961832 MCSS 0.0014312977099236641 MODELER 0.36593511450381677 Mesoscale 4.7709923664122136E-4 Morphology 4.7709923664122136E-4 Quantum Mechanics 0.03148854961832061 Reflex 0.004770992366412214 Semi-empirical 0.0014312977099236641 Sorption 0.004293893129770993 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.042938931297709926

Year

2024 0.0

Keywords

target 1.0 docking 0.5342929720575783 potential 0.41800733841377363 visualization 0.39232289020604005 analysis 0.279424216765453 binding 0.2077335591306802 activity 0.16088060965283657 novel 0.15269545582839403 protein 0.1450747953711544 vitro 0.09201241885407846 between 0.08410951171323737 silico 0.07874682472480948 promising 0.062376517075924356 drug 0.05701383008749647 compound 0.05447360993508326 synthesis 0.05447360993508326 therapeutic 0.052215636466271524 inhibition 0.05023990968106125 treatment 0.047981936212249506 interaction 0.04261924922382162 synthesized 0.021450747953711543 development 0.018063787750493932 potent 0.015523567598080722 modeler 0.014959074230877787 including 0.0
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