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Application

Discovery Studio 1.0 Materials Studio 0.2609254498714653 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03773584905660377 Amorphous Cell 0.08679245283018867 Blends 0.0 CASTEP 0.16226415094339622 CDOCKER 0.24528301886792453 CHARMm 0.42641509433962266 COMPASS 0.15849056603773584 COMPASS III 0.04025157232704402 COSMObase 0.0 COSMOconf 0.0025157232704402514 COSMOtherm 0.031446540880503145 Catalyst 0.12327044025157233 Classical Simulations 0.7182389937106918 Crystallization 0.025157232704402517 DFTB Plus 0.0 DMol3 0.06918238993710692 Discover 0.0 Forcite 0.1949685534591195 GULP 0.0012578616352201257 Kinetix 0.0 LUDI 0.006289308176100629 LibDock 0.1069182389937107 LigandFit 0.006289308176100629 MODELER 0.37358490566037733 Mesocite 0.0012578616352201257 Mesoscale 0.0012578616352201257 Morphology 0.0025157232704402514 Polymorph 0.0012578616352201257 Quantum Mechanics 0.2289308176100629 Reflex 0.018867924528301886 Semi-empirical 0.0012578616352201257 Sorption 0.022641509433962263 VAMP 0.0 Visualization 1.0 X-Cell 0.0012578616352201257 ZDOCK 0.03773584905660377

Year

2024 0.03608923884514436 2025 1.0 2026 0.30249343832021 2027 0.0

Keywords

potential 1.0 target 0.9301909307875895 docking 0.4636038186157518 analysis 0.3412887828162291 visualization 0.2577565632458234 binding 0.1957040572792363 therapeutic 0.16825775656324582 promising 0.16050119331742244 novel 0.13126491646778043 activity 0.1026252983293556 strong 0.08412887828162291 including 0.08174224343675418 between 0.07040572792362769 protein 0.06384248210023866 silico 0.053102625298329355 stability 0.045942720763723154 inhibition 0.0441527446300716 development 0.04295942720763723 vitro 0.04116945107398568 compound 0.028042959427207637 treatment 0.025059665871121718 interaction 0.016109785202863963 drug 0.013126491646778043 effective 0.004176610978520286 synthesized 0.0
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