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Application

Discovery Studio 0.9137291280148423 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055734190782422297 Amorphous Cell 0.28188638799571275 Blends 0.0010718113612004287 CASTEP 0.2540192926045016 CDOCKER 0.14683815648445875 CHARMm 0.2390139335476956 COMPASS 0.3483386923901393 COMPASS III 0.12540192926045016 COSMObase 0.004287245444801715 COSMOconf 0.010718113612004287 COSMOmic 0.0 COSMOperm 0.0010718113612004287 COSMOplex 0.0 COSMOtherm 0.07931404072883172 Catalyst 0.0782422293676313 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08360128617363344 DFTB Plus 0.003215434083601286 DMol3 0.12111468381564845 DPD 0.003215434083601286 Discover 0.004287245444801715 Forcite 0.5487674169346195 GULP 0.010718113612004287 Kinetix 0.0 LUDI 0.0 LibDock 0.06752411575562701 LigandFit 0.0010718113612004287 MODELER 0.21114683815648447 Mesocite 0.004287245444801715 Mesoscale 0.006430868167202572 Morphology 0.01822079314040729 ONETEP 0.0021436227224008574 Polymorph 0.0021436227224008574 Quantum Mechanics 0.3740621650589496 Reflex 0.05894962486602358 Reflex Plus 0.0 Semi-empirical 0.003215434083601286 Sorption 0.06752411575562701 Synthia 0.0010718113612004287 TURBOMOLE 0.0 Visualization 0.6580921757770632 X-Cell 0.0 ZDOCK 0.021436227224008574

Year

2025 0.8624078624078624 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.270516717325228 analysis 0.19807497467071936 docking 0.18541033434650456 visualization 0.1474164133738602 between 0.09979736575481256 promising 0.08713272543059777 novel 0.08105369807497467 binding 0.07041540020263425 energy 0.06180344478216818 cell 0.060790273556231005 performance 0.05065856129685917 activity 0.0486322188449848 strategy 0.037487335359675786 strong 0.034447821681864235 stability 0.033941236068895646 including 0.02684903748733536 therapeutic 0.022796352583586626 mechanism 0.01773049645390071 effective 0.017223910840932118 synthesized 0.014184397163120567 design 0.012664640324214792 enhanced 0.009625126646403243 development 0.008105369807497468 efficient 0.0
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