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Application

Discovery Studio 1.0 Materials Studio 0.9267228845594649 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06557984438680993 Amorphous Cell 0.2734346054094109 Blends 0.001852537977028529 CASTEP 0.3267876991478325 CDOCKER 0.18117821415339014 CHARMm 0.28788440163023343 COMPASS 0.33938495739162655 COMPASS III 0.09225639125602075 COSMObase 0.0033345683586513525 COSMOconf 0.006298629121896999 COSMOquick 0.0014820303816228233 COSMOtherm 0.0640978140051871 Catalyst 0.08002964060763246 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06817339755464986 DFTB Plus 0.006298629121896999 DMol3 0.14190440904038532 DPD 0.002593553167839941 Discover 0.001852537977028529 Forcite 0.5213041867358281 GULP 0.02111893293812523 Kinetix 0.0 LUDI 0.004075583549462764 LibDock 0.07521304186735828 LigandFit 0.003705075954057058 MODELER 0.2804742497221193 MesoDyn 0.0014820303816228233 Mesocite 0.0014820303816228233 Mesoscale 0.005928121526491293 Modules 0.0 Morphology 0.015561319007039644 ONETEP 3.705075954057058E-4 Polymorph 0.0011115227862171174 QSAR 7.410151908114116E-4 Quantum Mechanics 0.4597999258984809 Reflex 0.04927751018895887 Reflex Plus 0.0011115227862171174 Semi-empirical 0.007780659503519822 Sorption 0.05038903297517599 Synthia 0.0011115227862171174 TURBOMOLE 3.705075954057058E-4 VAMP 0.0011115227862171174 Visualization 0.7095220452019266 X-Cell 0.001852537977028529 ZDOCK 0.03001111522786217

Year

2025 0.0

Keywords

target 1.0 potential 0.3193858613126371 docking 0.22254091445925425 analysis 0.20819976379281255 visualization 0.15302851358191327 between 0.14121815420954953 novel 0.0936392778808841 promising 0.08722793993588662 binding 0.08031044373207356 energy 0.06478825712839548 cell 0.054833811371688884 activity 0.04859119284629661 stability 0.036949552893538046 including 0.03644339463472246 performance 0.021427366289859962 development 0.01720938079973005 interaction 0.01720938079973005 strong 0.014509870086046903 effective 0.011979078791968956 experimental 0.009110848658680615 synthesized 0.006917496203813059 therapeutic 0.0059051796861818795 mechanism 0.005567740846971487 enhanced 0.002193352454867555 protein 0.0
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