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Application

Discovery Studio 1.0 Materials Studio 0.30574324324324326 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0255650240829937 Amorphous Cell 0.09299740644683216 Blends 0.0029640607632456465 CASTEP 0.1459799925898481 CDOCKER 0.17636161541311596 CHARMm 0.2715820674323824 COMPASS 0.15598369766580214 COMPASS III 0.012597258243793997 COSMObase 0.0 COSMOconf 0.0 COSMOquick 3.705075954057058E-4 COSMOtherm 0.02667654686921082 Catalyst 0.19044090403853278 Classical Simulations 0.542793627269359 Conformers 0.0014820303816228233 Crystallization 0.027788069655427936 DFTB Plus 0.0011115227862171174 DMol3 0.07039644312708411 DPD 7.410151908114116E-4 Discover 0.0033345683586513525 Forcite 0.18969988884772138 GULP 0.012967765839199704 LUDI 0.006298629121896999 LibDock 0.07298999629492404 LigandFit 0.008151167098925528 MCSS 3.705075954057058E-4 MODELER 0.07150796591330122 MesoDyn 7.410151908114116E-4 Mesocite 0.002593553167839941 Mesoscale 0.00444609114486847 Morphology 0.007410151908114116 ONETEP 0.0 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.21193034457206372 Reflex 0.0192663949610967 Reflex Plus 0.0 Semi-empirical 0.001852537977028529 Sorption 0.016672841793256763 TURBOMOLE 0.0 VAMP 3.705075954057058E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.02927010003705076

Year

2023 0.0

Keywords

target 1.0 visualization 0.40412979351032446 docking 0.4030762747576907 potential 0.28466076696165193 analysis 0.19005478297513695 binding 0.14096080910240202 novel 0.12284028655710072 activity 0.11525495153813738 between 0.11019806152549515 protein 0.10809102402022756 interaction 0.07437842393594606 drug 0.05815423514538559 silico 0.05815423514538559 vitro 0.056679308891698275 compound 0.05351875263379688 synthesized 0.05351875263379688 synthesis 0.04698693636746734 inhibition 0.03034134007585335 treatment 0.02064896755162242 cell 0.018541930046354824 development 0.017909818794774546 promising 0.009270965023177412 mechanism 0.007163927517909819 energy 0.0 stability 0.0
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