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Application

Discovery Studio 1.0 Materials Studio 0.15308115787604334 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014182161991805862 Amorphous Cell 0.025212732429877087 Blends 0.0 CASTEP 0.08162622124172707 CDOCKER 0.25055152852190354 CHARMm 0.3047589032461393 COMPASS 0.04412228175228491 COMPASS III 0.011030570438071227 COSMObase 9.454774661203908E-4 COSMOconf 0.0012606366214938543 COSMOperm 0.0 COSMOtherm 0.016388276079420106 Catalyst 0.16073116924046643 Classical Simulations 0.402458241411913 Conformers 0.0 Crystallization 0.018279231011660887 DFTB Plus 3.151591553734636E-4 DMol3 0.0926567916797983 DPD 0.0 Discover 6.303183107469272E-4 Forcite 0.06712890009454775 GULP 0.0025212732429877086 LUDI 0.0028364323983611725 LibDock 0.09517806492278601 LigandFit 0.010085092971950834 MCSS 6.303183107469272E-4 MODELER 0.23920579892845886 MesoDyn 0.0 Mesocite 3.151591553734636E-4 Mesoscale 6.303183107469272E-4 Morphology 0.001575795776867318 ONETEP 0.0 Polymorph 0.0 QMERA 3.151591553734636E-4 QSAR 6.303183107469272E-4 Quantum Mechanics 0.17081626221241727 Reflex 0.016388276079420106 Semi-empirical 0.0012606366214938543 Sorption 0.004727387330601954 VAMP 0.0 Visualization 1.0 ZDOCK 0.02962496060510558

Year

2020 0.0 2021 0.3458333333333333 2022 0.5354166666666667 2023 0.6697916666666667 2024 1.0 2025 0.7921875 2026 0.1125

Keywords

activity 1.0 target 0.9674900108972031 docking 0.47493643298220123 visualization 0.36923356338539776 potential 0.36578278241917905 analysis 0.2141300399564112 novel 0.15837268434435162 binding 0.15710134398837633 vitro 0.1251362150381402 compound 0.09644024700326916 synthesis 0.08917544496912459 inhibition 0.08844896476571014 synthesized 0.08427170359607701 protein 0.08245550308754086 silico 0.07973120232473666 promising 0.06992371957864148 between 0.052488194696694516 potent 0.03523428986560116 active 0.03450780966218671 treatment 0.033054849255357795 drug 0.02615328732292045 development 0.015256084271703597 interaction 0.010170722847802398 enzyme 0.004177261169633128 effective 0.0
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