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Application

Discovery Studio 1.0 Materials Studio 0.11076345431789737 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.01881720430107527 Amorphous Cell 0.033602150537634407 CASTEP 0.03763440860215054 CDOCKER 0.2513440860215054 CHARMm 0.5268817204301075 COMPASS 0.04704301075268817 COMPASS III 0.016129032258064516 COSMOtherm 0.005376344086021506 Catalyst 0.135752688172043 Classical Simulations 0.646505376344086 Crystallization 0.013440860215053764 DFTB Plus 0.0 DMol3 0.06854838709677419 Forcite 0.0793010752688172 GULP 0.002688172043010753 LUDI 0.005376344086021506 LibDock 0.0793010752688172 LigandFit 0.004032258064516129 MODELER 0.4529569892473118 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0 Polymorph 0.0013440860215053765 QSAR 0.0 Quantum Mechanics 0.10752688172043011 Reflex 0.009408602150537635 Semi-empirical 0.0013440860215053765 Sorption 0.009408602150537635 VAMP 0.0 Visualization 1.0 ZDOCK 0.043010752688172046

Year

2024 0.20248538011695907 2025 1.0 2026 0.10453216374269006 2027 0.0

Keywords

binding 1.0 target 0.9557705597788528 docking 0.6427090532135452 potential 0.5245335176226675 analysis 0.37318590186592954 visualization 0.28127159640635796 protein 0.17069799585349 promising 0.13683483068417415 activity 0.12923289564616447 novel 0.12508638562543192 strong 0.12024879060124395 therapeutic 0.11748445058742225 between 0.1078092605390463 interaction 0.08914996544574982 silico 0.08914996544574982 including 0.06841741534208708 stability 0.06703524533517623 vitro 0.0608154803040774 inhibition 0.053213545266067724 compound 0.043538355217691775 drug 0.03731859018659295 development 0.009675190048375951 treatment 0.0082930200414651 synthesized 0.007601935038009675 targeting 0.0
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