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Application

Discovery Studio 0.8151004668155064 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06575231948366277 Amorphous Cell 0.2917843216350679 Blends 0.0022858679575097486 CASTEP 0.38039532069382814 CDOCKER 0.14360629286002422 CHARMm 0.23248621756084442 COMPASS 0.3666801129487697 COMPASS III 0.09681323114158935 COSMObase 0.004168347451929542 COSMOconf 0.005378512841199408 COSMOmic 1.344628210299852E-4 COSMOperm 0.001344628210299852 COSMOplex 1.344628210299852E-4 COSMOquick 0.0014790910313298372 COSMOtherm 0.06709694769396261 Cantera 0.0 Catalyst 0.0826946349334409 Classical Simulations 1.0 Conformers 5.378512841199408E-4 Crystallization 0.07301331181928197 DFTB Plus 0.005378512841199408 DMol3 0.17130563399220117 DPD 0.0022858679575097486 Discover 0.003630496167809601 Forcite 0.5577517816323786 GULP 0.02124512572273766 Kinetix 2.689256420599704E-4 LUDI 0.0028237192416296895 LibDock 0.060373806642463355 LigandFit 0.003764958988839586 MCSS 4.033884630899556E-4 MODELER 0.21850208417372596 MesoDyn 8.067769261799112E-4 Mesocite 0.0029581820626596745 Mesoscale 0.005781901304289364 Modules 0.0 Morphology 0.017211241091838105 ONETEP 0.0010757025682398816 Polymorph 0.002016942315449778 QMERA 1.344628210299852E-4 QSAR 9.412397472098965E-4 Quantum Mechanics 0.5405405405405406 Reflex 0.0527094258437542 Reflex Plus 0.0012101653892698668 Semi-empirical 0.006857603872529245 Sorption 0.05876025279010354 Synthia 0.001344628210299852 TURBOMOLE 4.033884630899556E-4 VAMP 0.0010757025682398816 Visualization 0.6662632782035767 X-Cell 0.0016135538523598225 ZDOCK 0.024875621890547265

Year

2023 0.03854431618078654 2024 0.44365094893367246 2025 1.0 2026 0.4157699080414792 2027 0.0

Keywords

target 1.0 potential 0.2855401590967411 analysis 0.19816525532460869 docking 0.1865537593020272 between 0.15999486784706185 visualization 0.15447780343854248 energy 0.0993713112650757 novel 0.09488067744418784 promising 0.0749935848088273 cell 0.07005388760585066 binding 0.057929176289453425 performance 0.05068001026430587 stability 0.042917628945342574 activity 0.039389273800359254 experimental 0.029830638953040802 including 0.022132409545804466 synthesized 0.02168334616371568 effective 0.021426738516807802 interaction 0.02033615601744932 mechanism 0.018411598665640235 development 0.01789838337182448 enhanced 0.013536053374390556 design 0.002758532204259687 strong 7.698229407236335E-4 synthesis 0.0
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