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Application

Discovery Studio 1.0 Materials Studio 0.7000503271263211 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0487062404870624 Amorphous Cell 0.14383561643835616 Blends 0.0030441400304414 CASTEP 0.3911719939117199 CDOCKER 0.1963470319634703 CHARMm 0.2313546423135464 COMPASS 0.3006088280060883 COMPASS III 0.00380517503805175 COSMOconf 0.0 COSMOperm 0.00228310502283105 COSMOquick 0.00228310502283105 COSMOtherm 0.0487062404870624 Catalyst 0.0745814307458143 Classical Simulations 0.7382039573820396 Conformers 0.0 Crystallization 0.06316590563165905 DFTB Plus 0.00228310502283105 DMol3 0.17427701674277016 DPD 0.0045662100456621 Discover 0.0076103500761035 Forcite 0.2945205479452055 GULP 0.03120243531202435 LUDI 0.0045662100456621 LibDock 0.0654490106544901 LigandFit 0.015220700152207 MCSS 0.0030441400304414 MODELER 0.2625570776255708 MesoDyn 0.00380517503805175 Mesocite 0.00380517503805175 Mesoscale 0.0106544901065449 Morphology 0.0213089802130898 ONETEP 0.0030441400304414 Polymorph 7.6103500761035E-4 QSAR 0.0 Quantum Mechanics 0.5494672754946728 Reflex 0.0395738203957382 Reflex Plus 0.00228310502283105 Semi-empirical 0.00837138508371385 Sorption 0.02663622526636225 TURBOMOLE 0.0 VAMP 0.00532724505327245 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03424657534246575

Year

2021 0.0

Keywords

target 1.0 visualization 0.2781586679725759 docking 0.2317988899771466 potential 0.18837740777015996 between 0.15181194906953965 analysis 0.14299706170421156 novel 0.0901077375122429 binding 0.08259875938622266 activity 0.06692784851452824 interaction 0.05125693764283382 protein 0.04211557296767875 experimental 0.03493307215148547 well 0.03232125367286973 energy 0.024812275546849494 synthesized 0.02317988899771466 synthesis 0.018282729350310153 cell 0.01534443356186745 drug 0.013712047012732615 mechanism 0.01110022853411688 compound 0.009794319294809012 chemical 0.004897159647404506 inhibition 0.0035912504080966375 vitro 0.002611818478615736 treatment 0.001305909239307868 silico 0.0
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