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Application

Discovery Studio 1.0 Materials Studio 0.9221021244875139 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06149463806970509 Amorphous Cell 0.2706099195710456 Blends 0.002680965147453083 CASTEP 0.3560656836461126 CDOCKER 0.17644101876675602 CHARMm 0.2761394101876676 COMPASS 0.3445040214477212 COMPASS III 0.09584450402144772 COSMObase 0.00435656836461126 COSMOconf 0.005026809651474531 COSMOmic 1.675603217158177E-4 COSMOperm 0.0013404825737265416 COSMOplex 3.351206434316354E-4 COSMOquick 0.0010053619302949062 COSMOtherm 0.06233243967828418 Catalyst 0.11092493297587132 Classical Simulations 1.0 Conformers 5.026809651474531E-4 Crystallization 0.07020777479892762 DFTB Plus 0.005529490616621984 DMol3 0.16052278820375335 DPD 0.0023458445040214475 Discover 0.003351206434316354 Forcite 0.5226206434316354 GULP 0.02044235924932976 Kinetix 3.351206434316354E-4 LUDI 0.0035187667560321718 LibDock 0.07422922252010723 LigandFit 0.004524128686327078 MODELER 0.22989276139410186 MesoDyn 5.026809651474531E-4 Mesocite 0.002848525469168901 Mesoscale 0.005529490616621984 Modules 0.0 Morphology 0.016588471849865952 ONETEP 0.0010053619302949062 Polymorph 0.0025134048257372654 QMERA 1.675603217158177E-4 QSAR 6.702412868632708E-4 Quantum Mechanics 0.506367292225201 Reflex 0.05010053619302949 Reflex Plus 0.0011729222520107238 Semi-empirical 0.006702412868632708 Sorption 0.058310991957104555 Synthia 0.001675603217158177 TURBOMOLE 3.351206434316354E-4 VAMP 6.702412868632708E-4 Visualization 0.8238941018766756 X-Cell 0.0013404825737265416 ZDOCK 0.030328418230563002

Year

2022 0.0 2023 0.23347959047998937 2024 0.44555245313123254 2025 1.0 2026 0.5279882994282675 2027 6.648052120728626E-4

Keywords

target 1.0 potential 0.3021702838063439 docking 0.2400212475337684 analysis 0.2108058886022158 visualization 0.20443162847169524 between 0.14903627257550464 novel 0.10365761117013204 binding 0.08263772954924875 promising 0.07702230991045682 energy 0.07679465776293823 cell 0.061314311731674 activity 0.06010016694490818 stability 0.038169676733950525 synthesized 0.027621793898922446 performance 0.02731825770223099 interaction 0.027090605554712398 development 0.022461678555167702 effective 0.021247533768401883 including 0.01942631658825315 experimental 0.018743360145697375 protein 0.016390954621338594 mechanism 0.0153285779329185 synthesis 0.007588404917286387 enhanced 3.0353619669145547E-4 design 0.0
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