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Application

Discovery Studio 0.707185628742515 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07189014539579967 Amorphous Cell 0.3295638126009693 Blends 0.0032310177705977385 CASTEP 0.3739903069466882 CDOCKER 0.11308562197092084 CHARMm 0.1962843295638126 COMPASS 0.42326332794830374 COMPASS III 0.08562197092084006 COSMObase 0.0016155088852988692 COSMOconf 0.004846526655896607 COSMOperm 0.0 COSMOquick 0.0016155088852988692 COSMOtherm 0.05654281098546042 Catalyst 0.06623586429725363 Classical Simulations 1.0 Conformers 8.077544426494346E-4 Crystallization 0.0654281098546042 DFTB Plus 0.0032310177705977385 DMol3 0.17689822294022617 DPD 0.0024232633279483036 Discover 0.004038772213247173 Forcite 0.5953150242326333 GULP 0.016962843295638127 LUDI 0.0032310177705977385 LibDock 0.04604200323101777 LigandFit 0.0 MODELER 0.14781906300484654 MesoDyn 8.077544426494346E-4 Mesocite 0.005654281098546042 Mesoscale 0.008885298869143781 Morphology 0.017770597738287562 ONETEP 0.0 Polymorph 0.0 QMERA 8.077544426494346E-4 Quantum Mechanics 0.5387722132471728 Reflex 0.04604200323101777 Semi-empirical 0.005654281098546042 Sorption 0.09450726978998385 Synthia 0.0016155088852988692 VAMP 0.0 Visualization 0.6397415185783522 X-Cell 0.0016155088852988692 ZDOCK 0.013731825525040387

Year

2022 0.0 2023 0.21935987509758 2024 0.5589383294301327 2025 1.0 2026 0.39344262295081966

Keywords

higher 1.0 target 0.9372623574144486 potential 0.23726235741444868 analysis 0.19049429657794678 between 0.18669201520912548 docking 0.15285171102661596 energy 0.14258555133079848 visualization 0.1361216730038023 cell 0.06730038022813688 performance 0.05855513307984791 binding 0.05551330798479087 novel 0.054372623574144484 stability 0.054372623574144484 activity 0.050190114068441066 interaction 0.04904942965779468 enhanced 0.04638783269961977 promising 0.04106463878326996 experimental 0.030418250950570342 lower 0.02053231939163498 effective 0.017870722433460075 synthesized 0.017110266159695818 adsorption 0.01596958174904943 mechanism 0.007984790874524715 including 3.8022813688212925E-4 design 0.0
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