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Application

Discovery Studio 1.0 Materials Studio 0.9037974683544304 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062193126022913256 Amorphous Cell 0.27605019094380795 Blends 0.002727768685215494 CASTEP 0.314784506273868 CDOCKER 0.1789416257501364 CHARMm 0.2945990180032733 COMPASS 0.33169667212220405 COMPASS III 0.09765411893071467 COSMObase 0.00436442989634479 COSMOconf 0.004909983633387889 COSMOperm 5.455537370430987E-4 COSMOquick 0.0 COSMOtherm 0.058919803600654665 Catalyst 0.07855973813420622 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06928532460447354 DFTB Plus 5.455537370430987E-4 DMol3 0.14238952536824878 DPD 0.002182214948172395 Discover 0.007637752318603383 Forcite 0.508456082924168 GULP 0.013638843426077468 LUDI 0.004909983633387889 LibDock 0.07255864702673213 LigandFit 0.0038188761593016913 MCSS 0.0 MODELER 0.26677577741407527 MesoDyn 0.0010911074740861974 Mesocite 0.0032733224222585926 Mesoscale 0.006546644844517185 Morphology 0.015275504637206765 ONETEP 0.0 Polymorph 0.0016366612111292963 QMERA 0.0 QSAR 5.455537370430987E-4 Quantum Mechanics 0.44789961811238405 Reflex 0.05128205128205128 Reflex Plus 0.0 Semi-empirical 0.002182214948172395 Sorption 0.046917621385706494 Synthia 0.0 TURBOMOLE 0.0 VAMP 5.455537370430987E-4 Visualization 0.7250409165302782 X-Cell 0.0016366612111292963 ZDOCK 0.031642116748499725

Year

2024 0.32370472260430994 2025 1.0 2026 0.9009628610729024 2027 0.0

Keywords

target 1.0 potential 0.31473456121343446 docking 0.24810400866738894 analysis 0.22887323943661972 visualization 0.17118093174431204 between 0.14003250270855905 novel 0.09371614301191766 promising 0.09236186348862405 binding 0.09127843986998917 activity 0.056879739978331526 cell 0.05660888407367281 energy 0.05552546045503792 stability 0.04035752979414951 strong 0.02627302275189599 performance 0.024918743228602384 including 0.018418201516793065 development 0.0138136511375948 effective 0.013001083423618635 enhanced 0.010021668472372697 mechanism 0.009479956663055254 synthesized 0.006771397616468039 interaction 0.002437703141928494 experimental 0.0021668472372697724 therapeutic 8.125677139761647E-4 protein 0.0
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