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Application

Discovery Studio 1.0 Materials Studio 0.7414403778040142 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10772357723577236 Amorphous Cell 0.16260162601626016 CASTEP 0.2967479674796748 CDOCKER 0.21951219512195122 CHARMm 0.3252032520325203 COMPASS 0.3150406504065041 COMPASS III 0.08333333333333333 COSMObase 0.0 COSMOconf 0.0 COSMOperm 0.0 COSMOtherm 0.034552845528455285 Catalyst 0.3252032520325203 Classical Simulations 1.0 Crystallization 0.13008130081300814 DMol3 0.1524390243902439 DPD 0.0 Forcite 0.4573170731707317 GULP 0.008130081300813009 LUDI 0.0040650406504065045 LibDock 0.08333333333333333 LigandFit 0.0 MODELER 0.17073170731707318 Mesocite 0.0 Mesoscale 0.0020325203252032522 Morphology 0.018292682926829267 QSAR 0.0 Quantum Mechanics 0.4491869918699187 Reflex 0.10975609756097561 Sorption 0.03861788617886179 Visualization 1.0 X-Cell 0.008130081300813009 ZDOCK 0.0

Year

2024 0.23751522533495736 2025 1.0 2026 0.6236297198538368 2027 0.0

Keywords

synthesized 1.0 target 0.9124315871774824 docking 0.33229085222830335 synthesis 0.32134480062548865 potential 0.3174354964816263 novel 0.2650508209538702 visualization 0.18764659890539484 analysis 0.1641907740422205 compound 0.15480844409695074 promising 0.1524628616106333 activity 0.11806098514464425 binding 0.10398749022673964 inhibition 0.0727130570758405 between 0.06958561376075059 design 0.06489444878811572 potent 0.04769351055512119 vitro 0.03440187646598905 effective 0.03049257232212666 designed 0.028146989835809225 strong 0.022673964034401875 experimental 0.017982799061767005 silico 0.014073494917904612 performance 0.010164190774042221 development 0.0023455824863174357 energy 0.0
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