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Application

Discovery Studio 1.0 Materials Studio 0.8182989690721649 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.050289017341040465 Amorphous Cell 0.2658959537572254 Blends 5.780346820809249E-4 CASTEP 0.26184971098265897 CDOCKER 0.1884393063583815 CHARMm 0.2930635838150289 COMPASS 0.3242774566473988 COMPASS III 0.1115606936416185 COSMObase 0.004624277456647399 COSMOconf 0.009248554913294798 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 5.780346820809249E-4 COSMOquick 5.780346820809249E-4 COSMOtherm 0.06705202312138728 Catalyst 0.0838150289017341 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07514450867052024 DFTB Plus 0.003468208092485549 DMol3 0.12312138728323699 DPD 0.0011560693641618498 Discover 0.002890173410404624 Forcite 0.49884393063583815 GULP 0.012716763005780347 Kinetix 0.0 LUDI 0.003468208092485549 LibDock 0.07514450867052024 LigandFit 0.002890173410404624 MODELER 0.2901734104046243 Mesocite 0.003468208092485549 Mesoscale 0.004624277456647399 Morphology 0.018497109826589597 ONETEP 0.0011560693641618498 Polymorph 0.0011560693641618498 QMERA 0.0 Quantum Mechanics 0.37976878612716763 Reflex 0.05317919075144509 Semi-empirical 0.004624277456647399 Sorption 0.061849710982658956 Synthia 0.0011560693641618498 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7647398843930636 X-Cell 0.0 ZDOCK 0.03005780346820809

Year

2024 0.07962633451957295 2025 1.0 2026 0.9506227758007118 2027 0.0

Keywords

target 1.0 potential 0.3425366695427092 docking 0.2640207075064711 analysis 0.24101236698303136 visualization 0.19240724762726488 between 0.12021857923497267 promising 0.10181190681622088 binding 0.1000862812769629 novel 0.09778544722461892 activity 0.0641357492090883 cell 0.05349439171699741 energy 0.05349439171699741 stability 0.0454414725337935 including 0.03192407247627265 strong 0.027610008628127698 therapeutic 0.0181190681622088 performance 0.016968651136036815 effective 0.015818234109864826 synthesized 0.015818234109864826 development 0.014667817083692839 mechanism 0.014667817083692839 strategy 0.008628127696289905 protein 0.007477710670117918 interaction 0.0014380212827149843 enhanced 0.0
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