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Application

Discovery Studio 1.0 Materials Studio 0.5489407347814428 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07501194457716197 Amorphous Cell 0.1782130912565695 Blends 0.001433349259436216 CASTEP 0.3831820353559484 CDOCKER 0.1930243669374104 CHARMm 0.3526039178213091 COMPASS 0.22790253225035834 COMPASS III 0.051600573339703776 COSMObase 0.002866698518872432 COSMOconf 0.0033444816053511705 COSMOmic 0.0 COSMOperm 9.555661729574773E-4 COSMOquick 4.7778308647873863E-4 COSMOtherm 0.05542283803153368 Catalyst 0.11753463927376971 Classical Simulations 0.8308647873865265 Conformers 4.7778308647873863E-4 Crystallization 0.030578117534639272 DFTB Plus 0.005255613951266125 DMol3 0.13951266125179168 DPD 0.001433349259436216 Discover 0.001433349259436216 Forcite 0.33397037744863833 GULP 0.018155757286192068 Kinetix 0.0 LUDI 0.005255613951266125 LibDock 0.09507883420926899 LigandFit 0.0019111323459149545 MODELER 0.35451505016722407 MesoDyn 0.0 Mesocite 0.0023889154323936935 Mesoscale 0.003822264691829909 Modules 0.0 Morphology 0.007644529383659818 Polymorph 9.555661729574773E-4 QMERA 0.0 QSAR 0.001433349259436216 Quantum Mechanics 0.5117056856187291 Reflex 0.019589106545628284 Reflex Plus 4.7778308647873863E-4 Semi-empirical 0.005733397037744864 Sorption 0.031055900621118012 Synthia 0.0 Visualization 1.0 X-Cell 0.0019111323459149545 ZDOCK 0.031055900621118012

Year

2023 0.12273032952252858 2024 0.644586415601883 2025 1.0 2026 0.29690652320107597 2027 0.0

Keywords

analysis 1.0 target 0.9224640497473766 potential 0.4078896230081617 docking 0.3816556548775748 visualization 0.21783909832879908 binding 0.14244073066459387 between 0.14224640497473767 novel 0.0775359502526234 promising 0.07287213369607462 stability 0.06354450058297707 activity 0.06140691799455888 including 0.05363389040031092 protein 0.05266226195102992 interaction 0.049358725223474544 energy 0.04216867469879518 silico 0.02876020209871745 therapeutic 0.027594247959580258 strong 0.016129032258064516 mechanism 0.008356004663816556 experimental 0.005052467936261173 treatment 0.0029148853478429848 drug 0.002331908278274388 cell 0.00194325689856199 vitro 0.00194325689856199 effective 0.0
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