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Application

Discovery Studio 0.8060700087268496 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06676191713209507 Amorphous Cell 0.2901675542278218 Blends 0.0024678529679179116 CASTEP 0.3901805429276529 CDOCKER 0.14261592414599297 CHARMm 0.23106896999610338 COMPASS 0.36615144824003115 COMPASS III 0.09585660475386414 COSMObase 0.0042862709442784775 COSMOconf 0.005195479932458761 COSMOmic 1.29886998311469E-4 COSMOperm 0.0012988699831146902 COSMOplex 1.29886998311469E-4 COSMOquick 0.0015586439797376282 COSMOtherm 0.06585270814391479 Cantera 0.0 Catalyst 0.08442654890245486 Classical Simulations 1.0 Conformers 7.793219898688141E-4 Crystallization 0.07481491102740616 DFTB Plus 0.00532536693077023 DMol3 0.17456812573061437 DPD 0.0023379659696064425 Discover 0.0036368359527211326 Forcite 0.5586439797376282 GULP 0.02247045070788414 Kinetix 2.59773996622938E-4 LUDI 0.0029874009611637873 LibDock 0.06117677620470191 LigandFit 0.0036368359527211326 MCSS 3.8966099493440706E-4 MODELER 0.21327445122743213 MesoDyn 7.793219898688141E-4 Mesocite 0.0031172879594752565 Mesoscale 0.005844914924016106 Modules 0.0 Morphology 0.017404857773736848 ONETEP 0.0011689829848032212 Polymorph 0.002078191972983504 QMERA 1.29886998311469E-4 QSAR 9.092089881802832E-4 Quantum Mechanics 0.5534484998051695 Reflex 0.05442265229250552 Reflex Plus 0.0011689829848032212 Semi-empirical 0.006884010910507858 Sorption 0.05883881023509547 Synthia 0.0012988699831146902 TURBOMOLE 3.8966099493440706E-4 VAMP 0.0011689829848032212 Visualization 0.6681387193141967 X-Cell 0.0015586439797376282 ZDOCK 0.024158981685933237

Year

2023 0.05872436077549874 2024 0.43223751990259435 2025 1.0 2026 0.39805188723424184 2027 0.0

Keywords

target 1.0 potential 0.2849792325336309 analysis 0.19849978302647078 docking 0.18641125782654516 between 0.16093236625131735 visualization 0.1548571074328932 energy 0.10104767218399355 novel 0.09608827723017792 promising 0.07401896968569835 cell 0.06961750666418696 binding 0.057404996590415966 performance 0.05114376046122373 stability 0.04364267559357758 activity 0.03874527307668464 experimental 0.030066331907507283 including 0.022689231913706528 synthesized 0.022441262166015746 interaction 0.02126340586448453 effective 0.020581489058334883 mechanism 0.017853821833736284 development 0.01710991259066394 enhanced 0.012336494947616392 design 0.002355712603062426 strong 3.719546215361726E-4 synthesis 0.0
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