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Application

Discovery Studio 0.9792582907405206 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06829423966810276 Amorphous Cell 0.27892133397159724 Blends 0.002632838678793681 CASTEP 0.4143928514440721 CDOCKER 0.17400670177118238 CHARMm 0.2550662198819212 COMPASS 0.37737354396042766 COMPASS III 0.0717249082495612 COSMObase 0.0027126216690601564 COSMOconf 0.0032711026009254827 COSMOmic 2.3934897079942556E-4 COSMOperm 0.0013563108345300782 COSMOplex 3.9891495133237594E-4 COSMOquick 0.001675442795595979 COSMOtherm 0.06542205201850966 Cantera 7.978299026647519E-5 Catalyst 0.12422211584490186 Classical Simulations 1.0 Conformers 0.0011967448539971278 Crystallization 0.07794798149034626 DFTB Plus 0.006382639221318015 DMol3 0.19171852561033986 DPD 0.0035104515717249082 Discover 0.004946545396521462 Forcite 0.5352640816977821 GULP 0.02736556566140099 Kinetix 2.3934897079942556E-4 LUDI 0.0053454603478538375 LibDock 0.07036859741503111 LigandFit 0.0070209031434498165 MCSS 0.0011967448539971278 MODELER 0.17839476623583853 MesoDyn 0.002074357746928355 Mesocite 0.00414871549385671 Mesoscale 0.008377213977979895 Modules 0.0 Morphology 0.01858943673208872 ONETEP 0.0011967448539971278 Polymorph 0.0019945747566618797 QMERA 3.1913196106590075E-4 QSAR 0.0015158768150630286 Quantum Mechanics 0.5934258816020425 Reflex 0.05720440402106271 Reflex Plus 7.180469123982767E-4 Semi-empirical 0.008696345939045795 Sorption 0.0552896122546673 Synthia 0.0015956598053295037 TURBOMOLE 5.584809318653263E-4 VAMP 0.0018350087761289293 Visualization 0.8516834210946226 X-Cell 0.0011967448539971278 ZDOCK 0.02999840434019467

Year

2020 0.009425412361790828 2021 0.12996193583469276 2022 0.28629690048939643 2023 0.5063440275512053 2024 1.0 2025 0.9918433931484503 2026 0.3170201196302338 2027 0.0

Keywords

target 1.0 potential 0.246558600283031 docking 0.19895793130065612 visualization 0.19339379904798662 analysis 0.16576611346970282 between 0.1451820403962434 novel 0.09407564646854497 energy 0.0796346327029461 binding 0.06445387881126978 cell 0.05583429821175865 activity 0.04727904284060208 promising 0.04152193490286891 interaction 0.03653672970539045 experimental 0.028142287405120286 synthesized 0.027306059436510998 stability 0.024282773703846648 mechanism 0.01736781165573138 protein 0.01579184356104464 performance 0.015245079120030876 effective 0.014859127749903512 development 0.014537501608130709 synthesis 0.01263990737167117 including 0.007461726489129036 chemical 0.002669496976714267 design 0.0
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