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Application

Discovery Studio 0.7712647928994083 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06798516687268233 Amorphous Cell 0.29517923362175524 Blends 0.0022249690976514215 CASTEP 0.3799752781211372 CDOCKER 0.1391841779975278 CHARMm 0.21804697156983932 COMPASS 0.36563658838071694 COMPASS III 0.1003708281829419 COSMObase 0.003955500618046972 COSMOconf 0.006674907292954265 COSMOmic 0.0 COSMOperm 9.88875154511743E-4 COSMOplex 0.0 COSMOquick 7.416563658838071E-4 COSMOtherm 0.07218788627935722 Cantera 0.0 Catalyst 0.0830655129789864 Classical Simulations 1.0 Conformers 4.944375772558715E-4 Crystallization 0.07589616810877627 DFTB Plus 0.005438813349814586 DMol3 0.1661310259579728 DPD 0.002472187886279357 Discover 0.0034610630407911 Forcite 0.5698393077873919 GULP 0.017058096415327566 Kinetix 2.4721878862793575E-4 LUDI 0.0032138442521631645 LibDock 0.05339925834363412 LigandFit 0.003708281829419036 MCSS 4.944375772558715E-4 MODELER 0.20939431396786157 MesoDyn 2.4721878862793575E-4 Mesocite 0.0029666254635352285 Mesoscale 0.005686032138442522 Morphology 0.018294190358467244 ONETEP 0.00173053152039555 Polymorph 9.88875154511743E-4 QMERA 0.0 QSAR 9.88875154511743E-4 Quantum Mechanics 0.5381953028430161 Reflex 0.05488257107540173 Reflex Plus 4.944375772558715E-4 Semi-empirical 0.007416563658838072 Sorption 0.0588380716934487 Synthia 0.0012360939431396785 TURBOMOLE 4.944375772558715E-4 VAMP 0.0014833127317676143 Visualization 0.6440049443757726 X-Cell 0.0012360939431396785 ZDOCK 0.023980222496909766

Year

2023 0.028032246244045437 2024 0.40949065591791867 2025 1.0 2026 0.4754488823744962 2027 0.0

Keywords

target 1.0 potential 0.2768070847295357 analysis 0.19243657252273816 docking 0.17651986596457636 between 0.15832934418382 visualization 0.1458831977022499 energy 0.09394447103877453 novel 0.0842508377213978 cell 0.0710866443274294 promising 0.07036859741503111 performance 0.05505026328386788 binding 0.05074198180947822 stability 0.039013882240306365 activity 0.037577788415509815 experimental 0.030397319291527048 synthesized 0.023456199138343705 enhanced 0.01771182383915749 mechanism 0.017472474868358068 including 0.01675442795595979 effective 0.016634753470560076 development 0.013882240306366683 interaction 0.01112972714217329 design 0.004188606988989947 strong 0.0015557683101962662 synthesis 0.0
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