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Application

Discovery Studio 1.0 Materials Studio 0.7309214245336348 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.047918303220738416 Amorphous Cell 0.24823252160251374 Blends 0.0015710919088766694 CASTEP 0.21052631578947367 CDOCKER 0.19402985074626866 CHARMm 0.3150039277297722 COMPASS 0.31421838177533384 COMPASS III 0.10997643362136685 COSMObase 0.003142183817753339 COSMOconf 0.01021209740769835 COSMOmic 0.0 COSMOperm 7.855459544383347E-4 COSMOplex 7.855459544383347E-4 COSMOtherm 0.06441476826394343 Catalyst 0.09347996857816182 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07776904948939513 DFTB Plus 0.002356637863315004 DMol3 0.09897879025923016 DPD 0.0015710919088766694 Discover 0.003142183817753339 Forcite 0.4917517674783975 GULP 0.00864100549882168 Kinetix 0.0 LUDI 0.0015710919088766694 LibDock 0.08091123330714847 LigandFit 0.003142183817753339 MODELER 0.2788688138256088 Mesocite 0.004713275726630008 Mesoscale 0.006284367635506678 Morphology 0.018853102906520033 ONETEP 0.0015710919088766694 Polymorph 0.0015710919088766694 Quantum Mechanics 0.30950510604870385 Reflex 0.05420267085624509 Reflex Plus 0.0 Semi-empirical 0.002356637863315004 Sorption 0.05970149253731343 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.7808326787117046 X-Cell 7.855459544383347E-4 ZDOCK 0.032992930086410056

Year

2025 1.0 2026 0.7868763557483731 2027 0.0

Keywords

target 1.0 potential 0.3278750952018279 docking 0.27037319116527037 analysis 0.22962680883472963 visualization 0.19497334348819498 between 0.11348057882711349 binding 0.10167555217060167 promising 0.1012947448591013 novel 0.09900990099009901 activity 0.0654988575780655 cell 0.04722010662604722 therapeutic 0.04722010662604722 stability 0.039223153084539226 including 0.03693830921553694 strong 0.03313023610053313 energy 0.026275704493526276 development 0.016755521706016754 strategy 0.016755521706016754 synthesized 0.014470677837014471 mechanism 0.011424219345011425 effective 0.010662604722010662 protein 0.006854531607006854 performance 0.006092916984006093 enhanced 0.002284843869002285 interaction 0.0
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