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Application

Discovery Studio 0.8763874873864783 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0547945205479452 Amorphous Cell 0.28409767718880286 Blends 0.001786777843954735 CASTEP 0.2751637879690292 CDOCKER 0.15247170935080406 CHARMm 0.2418106015485408 COMPASS 0.3519952352590828 COMPASS III 0.11673615247170935 COSMObase 0.005360333531864205 COSMOconf 0.006551518761167362 COSMOmic 0.0 COSMOperm 5.955926146515784E-4 COSMOplex 0.0 COSMOquick 0.0 COSMOtherm 0.06968433591423466 Catalyst 0.0684931506849315 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07802263251935676 DFTB Plus 0.00357355568790947 DMol3 0.12864800476474092 DPD 0.001786777843954735 Discover 0.004169148302561048 Forcite 0.5413936867182847 GULP 0.012507444907683145 Kinetix 0.0 LUDI 0.0011911852293031567 LibDock 0.06253722453841572 LigandFit 0.0029779630732578916 MODELER 0.21739130434782608 Mesocite 0.0029779630732578916 Mesoscale 0.004169148302561048 Morphology 0.016081000595592615 ONETEP 0.0011911852293031567 Polymorph 0.0029779630732578916 QMERA 0.0 Quantum Mechanics 0.3972602739726027 Reflex 0.05658129839189994 Reflex Plus 0.0 Semi-empirical 0.004169148302561048 Sorption 0.06789755807027993 Synthia 5.955926146515784E-4 TURBOMOLE 0.0 Visualization 0.6069088743299583 X-Cell 0.001786777843954735 ZDOCK 0.0273972602739726

Year

2024 0.0 2025 0.835431654676259 2026 1.0 2027 0.0044964028776978415

Keywords

target 1.0 potential 0.3006514657980456 analysis 0.21726384364820847 docking 0.2 visualization 0.14006514657980457 between 0.1293159609120521 novel 0.08697068403908795 promising 0.08664495114006515 energy 0.08045602605863192 binding 0.06351791530944625 cell 0.061563517915309444 performance 0.04820846905537459 activity 0.03745928338762215 strong 0.033876221498371335 stability 0.03322475570032573 including 0.025407166123778503 strategy 0.02247557003257329 synthesized 0.014006514657980456 effective 0.012377850162866449 mechanism 0.008469055374592834 experimental 0.007817589576547232 enhanced 0.0068403908794788275 development 0.006514657980456026 therapeutic 0.002280130293159609 design 0.0
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