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Application

Discovery Studio 1.0 Materials Studio 0.2297650130548303 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.02401847575057737 Amorphous Cell 0.07113163972286374 Blends 9.237875288683603E-4 CASTEP 0.11270207852193996 CDOCKER 0.20554272517321015 CHARMm 0.2558891454965358 COMPASS 0.10993071593533488 COMPASS III 0.002771362586605081 COSMOconf 4.6189376443418013E-4 COSMOperm 0.0 COSMOtherm 0.017090069284064664 Catalyst 0.171824480369515 Classical Simulations 0.4600461893764434 Conformers 0.0 Crystallization 0.018937644341801386 DFTB Plus 0.0013856812933025404 DMol3 0.053117782909930716 DPD 0.0018475750577367205 Discover 0.004157043879907622 Forcite 0.1367205542725173 GULP 0.007852193995381063 LUDI 0.008775981524249422 LibDock 0.08314087759815242 LigandFit 0.009699769053117783 MCSS 0.002771362586605081 MODELER 0.10577367205542725 MesoDyn 0.0 Mesocite 0.0023094688221709007 Mesoscale 0.003233256351039261 Morphology 0.004618937644341801 ONETEP 0.0 Polymorph 0.0 QSAR 0.0013856812933025404 Quantum Mechanics 0.16258660508083142 Reflex 0.013394919168591224 Semi-empirical 0.002771362586605081 Sorption 0.008314087759815243 TURBOMOLE 0.0 VAMP 9.237875288683603E-4 Visualization 1.0 ZDOCK 0.041108545034642036

Year

2022 0.0

Keywords

target 1.0 visualization 0.42574800988196543 docking 0.3982981059566292 potential 0.25061762283832006 binding 0.15371946198188308 analysis 0.15207246774636288 activity 0.12654405709580016 novel 0.11693659072193248 protein 0.10705462530881142 between 0.09854515509195717 interaction 0.06587976942080703 synthesis 0.06038978863573977 drug 0.05956629151797969 vitro 0.05791929728245951 silico 0.0565468020861927 compound 0.045841339555311555 synthesized 0.04007685973099094 inhibition 0.03842986549547077 treatment 0.0315673895141367 cell 0.017018940433708482 well 0.009881965413121054 mechanism 0.002744990392533626 development 0.001372495196266813 promising 5.489980785067252E-4 design 0.0
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