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Application

Discovery Studio 1.0 Materials Studio 0.05690298507462686 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.005035971223021582 Amorphous Cell 0.016546762589928057 CASTEP 0.02446043165467626 CDOCKER 0.1669064748201439 CHARMm 0.24964028776978417 COMPASS 0.03381294964028777 COMPASS III 0.005035971223021582 COSMOtherm 0.008633093525179856 Catalyst 0.18776978417266188 Classical Simulations 0.30863309352517987 Conformers 0.0 Crystallization 0.004316546762589928 DFTB Plus 0.0 DMol3 0.01079136690647482 Discover 0.0014388489208633094 Forcite 0.03597122302158273 GULP 0.002158273381294964 LUDI 0.002158273381294964 LibDock 0.07410071942446043 LigandFit 0.007194244604316547 MODELER 0.07266187050359713 Morphology 7.194244604316547E-4 Quantum Mechanics 0.03525179856115108 Reflex 0.0028776978417266188 Semi-empirical 0.0 Sorption 0.0035971223021582736 Visualization 1.0 ZDOCK 0.03093525179856115

Year

2023 0.0

Keywords

target 1.0 visualization 0.548353371667538 docking 0.5431259801359122 potential 0.3460533193936226 analysis 0.2268687924725562 binding 0.21223209618400418 protein 0.1693674856246733 activity 0.15263983272347098 novel 0.14741244119184527 silico 0.1097752221641401 vitro 0.10507056978567694 drug 0.10245687401986409 interaction 0.08886565603763721 compound 0.08520648196549922 between 0.0836382645060115 synthesis 0.07109252483010978 synthesized 0.0669106116048092 treatment 0.05593308938839519 inhibition 0.05541035023523262 development 0.023523261892315735 promising 0.015682174594877155 potent 0.010454783063251438 therapeutic 0.009932043910088865 cell 0.0015682174594877157 active 0.0
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