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Application

Discovery Studio 1.0 Materials Studio 0.980958230958231 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06479456784440096 Amorphous Cell 0.2759811255610542 Blends 0.0023017608470479916 CASTEP 0.37863965933939464 CDOCKER 0.167338013580389 CHARMm 0.2640119691564046 COMPASS 0.3536655541489239 COMPASS III 0.08873288065370008 COSMObase 0.0040280814823339854 COSMOconf 0.004833697778800782 COSMOmic 1.1508804235239959E-4 COSMOperm 0.0012659684658763955 COSMOplex 2.3017608470479918E-4 COSMOquick 0.0016112325929335941 COSMOtherm 0.06387386350558177 Cantera 0.0 Catalyst 0.11761997928415238 Classical Simulations 1.0 Conformers 6.905282541143975E-4 Crystallization 0.07193002647024974 DFTB Plus 0.005754402117619979 DMol3 0.1694095983427322 DPD 0.002186672804695592 Discover 0.0032224651858671883 Forcite 0.5319369317527909 GULP 0.02255725630107032 Kinetix 2.3017608470479918E-4 LUDI 0.0037979053976291864 LibDock 0.07169985038554494 LigandFit 0.005063873863505582 MCSS 5.754402117619979E-4 MODELER 0.20543215559903327 MesoDyn 9.207043388191967E-4 Mesocite 0.0031073771435147887 Mesoscale 0.005869490159972379 Modules 0.0 Morphology 0.01668776614109794 ONETEP 0.0010357923811715962 Polymorph 0.001956496719990793 QMERA 1.1508804235239959E-4 QSAR 0.0010357923811715962 Quantum Mechanics 0.5366555414892392 Reflex 0.05236505927034181 Reflex Plus 0.0010357923811715962 Semi-empirical 0.007135458625848775 Sorption 0.056047876625618595 Synthia 0.0016112325929335941 TURBOMOLE 4.6035216940959836E-4 VAMP 0.0010357923811715962 Visualization 0.8265623201749338 X-Cell 0.0014961445505811946 ZDOCK 0.029002186672804697

Year

2022 0.023296023296023295 2023 0.28246428246428246 2024 0.5146055146055146 2025 1.0 2026 0.38675038675038675 2027 0.0

Keywords

target 1.0 potential 0.2930903183225872 docking 0.23003503071533737 visualization 0.20647814387977864 analysis 0.20368584048332233 between 0.15540437630095955 novel 0.10544753008072295 energy 0.08676448190079708 binding 0.07757526526882266 promising 0.07006143067472204 cell 0.06442605472914657 activity 0.05772452657765142 stability 0.04157993603086765 interaction 0.034269178047418386 performance 0.032543026856881756 synthesized 0.0322384119409047 experimental 0.02919226278113418 development 0.02340457937757019 including 0.022846118698278926 effective 0.021932273950347768 protein 0.021373813271056506 mechanism 0.02071381428643956 synthesis 0.014570746814235671 design 0.004467685434330101 enhanced 0.0
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