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Application

Discovery Studio 0.15373961218836565 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06115702479338843 Amorphous Cell 0.3752066115702479 Blends 0.0 CASTEP 0.15206611570247933 CDOCKER 0.047933884297520664 CHARMm 0.047933884297520664 COMPASS 0.47107438016528924 COMPASS III 0.13553719008264462 COSMObase 0.0049586776859504135 COSMOconf 0.009917355371900827 COSMOperm 0.003305785123966942 COSMOplex 0.0 COSMOquick 0.001652892561983471 COSMOtherm 0.10082644628099173 Catalyst 0.006611570247933884 Classical Simulations 1.0 Crystallization 0.05619834710743802 DFTB Plus 0.003305785123966942 DMol3 0.14049586776859505 DPD 0.003305785123966942 Discover 0.001652892561983471 Forcite 0.7305785123966942 GULP 0.008264462809917356 LibDock 0.01487603305785124 LigandFit 0.001652892561983471 MODELER 0.02975206611570248 Mesocite 0.003305785123966942 Mesoscale 0.008264462809917356 Morphology 0.008264462809917356 Quantum Mechanics 0.2892561983471074 Reflex 0.04628099173553719 Reflex Plus 0.0 Semi-empirical 0.003305785123966942 Sorption 0.09421487603305785 TURBOMOLE 0.0 Visualization 0.2462809917355372 X-Cell 0.0 ZDOCK 0.006611570247933884

Year

2023 0.059149722735674676 2024 0.20702402957486138 2025 1.0 2026 0.6081330868761553 2027 0.0

Keywords

water 1.0 target 0.9146757679180887 between 0.20477815699658702 energy 0.15358361774744028 performance 0.14562002275312855 cell 0.1342434584755404 potential 0.11376564277588168 amorphous 0.10466439135381114 adsorption 0.08987485779294653 analysis 0.08418657565415244 surface 0.07736063708759955 interaction 0.0671217292377702 enhanced 0.06484641638225255 mechanism 0.06484641638225255 experimental 0.05802047781569966 efficient 0.05460750853242321 novel 0.01820250284414107 hydrogen 0.015927189988623434 higher 0.01478953356086462 chemical 0.012514220705346985 strategy 0.012514220705346985 visualization 0.012514220705346985 formation 0.006825938566552901 effective 0.004550625711035267 promising 0.0
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