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Application

Discovery Studio 0.8887730792138178 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0688 Amorphous Cell 0.2856 Blends 0.0026 CASTEP 0.403 CDOCKER 0.1568 CHARMm 0.2412 COMPASS 0.3711 COMPASS III 0.0841 COSMObase 0.0036 COSMOconf 0.0042 COSMOmic 2.0E-4 COSMOperm 0.0015 COSMOplex 3.0E-4 COSMOquick 0.0014 COSMOtherm 0.0649 Cantera 0.0 Catalyst 0.1098 Classical Simulations 1.0 Conformers 8.0E-4 Crystallization 0.075 DFTB Plus 0.006 DMol3 0.1802 DPD 0.0031 Discover 0.0037 Forcite 0.5475 GULP 0.025 Kinetix 2.0E-4 LUDI 0.0036 LibDock 0.0647 LigandFit 0.005 MCSS 4.0E-4 MODELER 0.1833 MesoDyn 0.0011 Mesocite 0.0038 Mesoscale 0.0072 Modules 0.0 Morphology 0.0179 ONETEP 0.0011 Polymorph 0.002 QMERA 2.0E-4 QSAR 0.0011 Quantum Mechanics 0.5722 Reflex 0.0546 Reflex Plus 9.0E-4 Semi-empirical 0.0078 Sorption 0.0569 Synthia 0.0014 TURBOMOLE 5.0E-4 VAMP 0.0014 Visualization 0.7653 X-Cell 0.0014 ZDOCK 0.0271

Year

2022 0.08832388377037562 2023 0.26860382707299785 2024 0.6873671155209071 2025 1.0 2026 0.37650602409638556 2027 0.0

Keywords

target 1.0 potential 0.27524663677130046 docking 0.20013452914798208 analysis 0.18955156950672647 visualization 0.18376681614349777 between 0.15632286995515696 novel 0.09757847533632287 energy 0.09381165919282511 cell 0.06636771300448431 binding 0.06381165919282511 promising 0.05959641255605381 activity 0.046502242152466365 stability 0.039417040358744396 performance 0.03600896860986547 experimental 0.03179372197309417 interaction 0.03143497757847533 synthesized 0.027219730941704035 effective 0.020807174887892375 mechanism 0.02022421524663677 development 0.016771300448430494 including 0.016681614349775786 synthesis 0.008789237668161434 protein 0.007443946188340807 design 0.0017937219730941704 chemical 0.0
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