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Application

Discovery Studio 1.0 Materials Studio 0.823852706787579 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05447761194029851 Amorphous Cell 0.2600746268656716 Blends 0.002238805970149254 CASTEP 0.2865671641791045 CDOCKER 0.18955223880597014 CHARMm 0.30597014925373134 COMPASS 0.3246268656716418 COMPASS III 0.1044776119402985 COSMObase 0.004477611940298508 COSMOconf 0.006343283582089552 COSMOmic 0.0 COSMOperm 7.462686567164179E-4 COSMOplex 3.7313432835820896E-4 COSMOquick 0.0 COSMOtherm 0.061567164179104475 Catalyst 0.08059701492537313 Classical Simulations 1.0 Conformers 3.7313432835820896E-4 Crystallization 0.06977611940298507 DFTB Plus 0.0026119402985074628 DMol3 0.12985074626865672 DPD 0.0014925373134328358 Discover 0.0037313432835820895 Forcite 0.49328358208955225 GULP 0.013432835820895522 Kinetix 0.0 LUDI 0.004477611940298508 LibDock 0.07873134328358208 LigandFit 0.0037313432835820895 MODELER 0.28992537313432837 Mesocite 0.0037313432835820895 Mesoscale 0.004850746268656716 Morphology 0.015671641791044775 ONETEP 7.462686567164179E-4 Polymorph 0.002238805970149254 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.41007462686567164 Reflex 0.050746268656716415 Reflex Plus 0.0 Semi-empirical 0.0037313432835820895 Sorption 0.05522388059701493 Synthia 7.462686567164179E-4 TURBOMOLE 0.0 VAMP 3.7313432835820896E-4 Visualization 0.7526119402985074 X-Cell 0.001119402985074627 ZDOCK 0.03246268656716418

Year

2024 0.11803372392112033 2025 1.0 2026 0.9179765647327808 2027 0.0

Keywords

target 1.0 potential 0.3460817397825272 docking 0.26284214473190853 analysis 0.2371578552680915 visualization 0.18485189351331083 between 0.12617172853393327 promising 0.0984251968503937 binding 0.09786276715410573 novel 0.09767529058867641 activity 0.06055493063367079 cell 0.05061867266591676 energy 0.048743907011623545 stability 0.0412448443944507 strong 0.0307461567304087 including 0.02793400824896888 performance 0.020247469066366704 effective 0.016685414323209597 development 0.013685789276340458 therapeutic 0.010686164229471317 protein 0.00843644544431946 synthesized 0.008248968878890138 mechanism 0.006186726659167604 enhanced 0.004124484439445069 interaction 0.0026246719160104987 strategy 0.0
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