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Application

Discovery Studio 1.0 Materials Studio 0.5276752767527675 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07288449660284126 Amorphous Cell 0.18406423718344658 Blends 6.176652254478073E-4 CASTEP 0.3804817788758493 CDOCKER 0.2112415071031501 CHARMm 0.37739345274861025 COMPASS 0.21865348980852378 COMPASS III 0.05867819641754169 COSMObase 0.0037059913526868438 COSMOconf 0.0037059913526868438 COSMOmic 0.0 COSMOperm 6.176652254478073E-4 COSMOquick 0.0 COSMOtherm 0.06053119209388511 Catalyst 0.1099444101297097 Classical Simulations 0.8585546633724521 Conformers 0.0 Crystallization 0.030883261272390366 DFTB Plus 0.004323656578134651 DMol3 0.1365040148239654 DPD 0.0 Discover 0.0012353304508956147 Forcite 0.3323038912909203 GULP 0.017912291537986413 LUDI 0.006176652254478073 LibDock 0.09944410129709698 LigandFit 0.0018529956763434219 MODELER 0.3885114268066708 Mesocite 0.0024706609017912293 Mesoscale 0.0030883261272390363 Modules 0.0 Morphology 0.008647313156269302 Polymorph 0.0012353304508956147 QMERA 0.0 QSAR 0.0012353304508956147 Quantum Mechanics 0.5077208153180975 Reflex 0.017912291537986413 Reflex Plus 0.0 Semi-empirical 0.004941321803582459 Sorption 0.033353922174181594 Visualization 1.0 X-Cell 0.0024706609017912293 ZDOCK 0.033971587399629403

Year

2023 0.0031974420463629096 2024 0.5863309352517986 2025 1.0 2026 0.35251798561151076 2027 0.0

Keywords

analysis 1.0 target 0.9298675821481118 potential 0.41932319764590487 docking 0.3898970083374203 visualization 0.20966159882295243 binding 0.15228052967140757 between 0.1441883276115743 promising 0.08607160372731731 novel 0.0801863658656204 stability 0.07111329082883766 activity 0.06694458067680235 including 0.05689063266307013 protein 0.05566454144188328 therapeutic 0.04364884747425209 interaction 0.04242275625306523 energy 0.03874448258950466 silico 0.03212358999509563 strong 0.02893575282000981 mechanism 0.01152525747915645 treatment 0.008582638548307995 vitro 0.008582638548307995 effective 0.005640019617459539 cell 0.005149583128984796 development 0.0034330554193231977 compound 0.0
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