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Application

Discovery Studio 1.0 Materials Studio 0.5683818551117129 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06148055207026349 Amorphous Cell 0.1932245922208281 Blends 6.273525721455458E-4 CASTEP 0.2998745294855709 CDOCKER 0.3437892095357591 CHARMm 0.4134253450439147 COMPASS 0.2986198243412798 COMPASS III 0.06587202007528231 COSMObase 0.002509410288582183 COSMOperm 6.273525721455458E-4 COSMOquick 0.0018820577164366374 COSMOtherm 0.043914680050188205 Catalyst 0.24592220828105396 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.05897114178168131 DFTB Plus 0.0012547051442910915 DMol3 0.14491844416562108 DPD 0.0018820577164366374 Discover 6.273525721455458E-4 Forcite 0.4316185696361355 GULP 0.00878293601003764 LUDI 0.00878293601003764 LibDock 0.12358845671267252 LigandFit 0.011292346298619825 MCSS 0.0012547051442910915 MODELER 0.31493099121706397 MesoDyn 6.273525721455458E-4 Mesocite 0.003136762860727729 Mesoscale 0.0056461731493099125 Morphology 0.008155583437892095 ONETEP 0.0 Polymorph 0.002509410288582183 QSAR 0.0 Quantum Mechanics 0.4372647427854454 Reflex 0.04705144291091593 Reflex Plus 6.273525721455458E-4 Semi-empirical 0.002509410288582183 Sorption 0.025094102885821833 Synthia 0.0 TURBOMOLE 0.0 VAMP 6.273525721455458E-4 Visualization 0.9178168130489335 X-Cell 0.0012547051442910915 ZDOCK 0.031994981179422836

Year

2022 0.025130393551446185 2023 0.26932195353247984 2024 0.7382645803698435 2025 1.0 2026 0.2678994784257942 2027 0.0

Keywords

novel 1.0 target 0.9534883720930233 potential 0.35551707075705097 docking 0.30479960415635826 analysis 0.17367639782285996 visualization 0.16328550222662047 synthesized 0.12840178129638793 promising 0.11553686293913903 synthesis 0.08782780801583374 binding 0.0875804057397328 activity 0.08708560118753092 development 0.08238495794161306 between 0.07125185551707075 compound 0.06209797130133597 design 0.02375061850569025 effective 0.021523998020781792 protein 0.014101929737753587 drug 0.012370113805047007 stability 0.012370113805047007 vitro 0.011380504700643246 therapeutic 0.007916872835230085 cell 0.007422068283028204 potent 0.004948045522018802 inhibition 0.0039584364176150424 including 0.0
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