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Application

Discovery Studio 0.8722584469472436 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06669178598342125 Amorphous Cell 0.293896006028636 Blends 0.002260738507912585 CASTEP 0.3500376789751319 CDOCKER 0.153353428786737 CHARMm 0.23926149208741523 COMPASS 0.3474001507159005 COMPASS III 0.1081386586284853 COSMObase 0.00452147701582517 COSMOconf 0.007159005275056519 COSMOmic 0.0 COSMOperm 3.7678975131876413E-4 COSMOplex 0.0 COSMOquick 3.7678975131876413E-4 COSMOtherm 0.07159005275056518 Catalyst 0.07309721175584025 Classical Simulations 1.0 Conformers 3.7678975131876413E-4 Crystallization 0.07309721175584025 DFTB Plus 0.003391107761868877 DMol3 0.15561416729464958 DPD 0.0018839487565938207 Discover 0.002260738507912585 Forcite 0.5486058779201206 GULP 0.016578749058025623 Kinetix 0.0 LUDI 0.00452147701582517 LibDock 0.06028636021100226 LigandFit 0.0037678975131876413 MCSS 3.7678975131876413E-4 MODELER 0.22833458929917105 MesoDyn 0.0 Mesocite 0.003391107761868877 Mesoscale 0.006028636021100226 Morphology 0.017709118311981915 ONETEP 0.0011303692539562924 Polymorph 3.7678975131876413E-4 QMERA 0.0 QSAR 3.7678975131876413E-4 Quantum Mechanics 0.5003767897513187 Reflex 0.05275056518462698 Reflex Plus 0.0 Semi-empirical 0.005651846269781462 Sorption 0.05614167294649586 Synthia 0.0011303692539562924 TURBOMOLE 7.535795026375283E-4 VAMP 0.0015071590052750565 Visualization 0.6601356443104748 X-Cell 0.0015071590052750565 ZDOCK 0.025244913338357197

Year

2024 0.3967883211678832 2025 1.0 2026 0.6178102189781022 2027 0.0

Keywords

target 1.0 potential 0.2855061908230153 analysis 0.20284049526584122 docking 0.19646758922068464 visualization 0.15112891478514204 between 0.15021849963583395 novel 0.08430444282592862 energy 0.08139111434814275 promising 0.07920611798980336 cell 0.07028404952658412 binding 0.05407865986890022 performance 0.053896576839038604 stability 0.04333576110706482 activity 0.04278951201747997 experimental 0.02221412964311726 enhanced 0.020757465404224327 mechanism 0.019847050254916242 synthesized 0.018390386016023306 including 0.01747997086671522 effective 0.017297887836853605 development 0.013292061179898033 strong 0.007101238164603059 interaction 0.006008739985433357 design 0.00528040786598689 strategy 0.0
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