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Application

Discovery Studio 1.0 Materials Studio 0.012733446519524618 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00303951367781155 Amorphous Cell 0.0025329280648429585 CASTEP 5.065856129685917E-4 CDOCKER 0.19655521783181357 CHARMm 0.32066869300911854 COMPASS 0.005065856129685917 COMPASS III 0.001519756838905775 COSMOperm 0.0 COSMOtherm 5.065856129685917E-4 Catalyst 0.1595744680851064 Classical Simulations 0.3353596757852077 Crystallization 0.0010131712259371835 DMol3 0.0070921985815602835 Forcite 0.00911854103343465 LUDI 0.00303951367781155 LibDock 0.09067882472137791 LigandFit 0.0035460992907801418 MODELER 0.25329280648429586 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.008105369807497468 Reflex 5.065856129685917E-4 Sorption 5.065856129685917E-4 Visualization 1.0 ZDOCK 0.025329280648429583

Year

2022 0.0 2023 0.4905778894472362 2024 1.0 2025 0.7462311557788944 2026 0.011306532663316583

Keywords

docking 1.0 target 0.9678082191780822 potential 0.5003424657534247 visualization 0.4520547945205479 analysis 0.3571917808219178 binding 0.2979452054794521 activity 0.17191780821917807 novel 0.1558219178082192 protein 0.1523972602739726 silico 0.13424657534246576 vitro 0.12397260273972603 between 0.08698630136986302 drug 0.08527397260273972 compound 0.08321917808219179 inhibition 0.07123287671232877 promising 0.06643835616438357 interaction 0.06541095890410958 synthesis 0.06335616438356165 synthesized 0.061986301369863016 therapeutic 0.05787671232876712 treatment 0.028767123287671233 including 0.02226027397260274 potent 0.015068493150684932 development 3.4246575342465754E-4 binding affinity 0.0
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