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Application

Discovery Studio 1.0 Materials Studio 0.1418157720344599 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.009937888198757764 Amorphous Cell 0.02981366459627329 CASTEP 0.0782608695652174 CDOCKER 0.26211180124223604 CHARMm 0.36770186335403726 COMPASS 0.03975155279503106 COMPASS III 0.018633540372670808 COSMObase 0.002484472049689441 COSMOconf 0.002484472049689441 COSMOtherm 0.02608695652173913 Catalyst 0.14782608695652175 Classical Simulations 0.46956521739130436 Crystallization 0.018633540372670808 DMol3 0.08819875776397515 Forcite 0.07329192546583851 GULP 0.0012422360248447205 LUDI 0.0037267080745341614 LibDock 0.10559006211180125 LigandFit 0.0037267080745341614 MCSS 0.0012422360248447205 MODELER 0.30807453416149067 Morphology 0.0 QMERA 0.0 Quantum Mechanics 0.16149068322981366 Reflex 0.017391304347826087 Semi-empirical 0.0 Sorption 0.0037267080745341614 Visualization 1.0 ZDOCK 0.03229813664596273

Year

2023 0.18035426731078905 2024 0.9516908212560387 2025 1.0 2026 0.0

Keywords

activity 1.0 target 0.9545454545454546 docking 0.5013568521031208 potential 0.41044776119402987 visualization 0.3337856173677069 analysis 0.2510176390773406 binding 0.17096336499321574 novel 0.16350067842605157 vitro 0.11194029850746269 promising 0.10583446404341927 compound 0.10176390773405698 inhibition 0.09972862957937585 silico 0.07937584803256445 synthesized 0.0773405698778833 protein 0.06987788331071913 synthesis 0.06852103120759837 potent 0.036635006784260515 between 0.033921302578018994 therapeutic 0.03188602442333786 treatment 0.028493894165535955 development 0.023066485753052916 effective 0.016960651289009497 including 0.016282225237449117 drug 0.015603799185888738 active 0.0
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