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Application

Discovery Studio 0.9738800303720577 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0634173880316146 Amorphous Cell 0.2796386902521641 Blends 0.001881821603312006 CASTEP 0.3394806172374859 CDOCKER 0.16371847948814452 CHARMm 0.2657132103876553 COMPASS 0.3441851712457659 COMPASS III 0.10030109145652992 COSMObase 0.004516371847948814 COSMOconf 0.005457282649604818 COSMOmic 0.0 COSMOperm 5.645464809936018E-4 COSMOplex 1.881821603312006E-4 COSMOquick 0.0015054572826496049 COSMOtherm 0.06398193451260821 Catalyst 0.08185923974407226 Classical Simulations 1.0 Conformers 3.763643206624012E-4 Crystallization 0.07207376740684983 DFTB Plus 0.003951825366955213 DMol3 0.15318027850959728 DPD 0.0024463680843056076 Discover 0.003951825366955213 Forcite 0.5287918705306737 GULP 0.01900639819345126 Kinetix 1.881821603312006E-4 LUDI 0.003763643206624012 LibDock 0.06981558148287542 LigandFit 0.0041400075272864136 MCSS 5.645464809936018E-4 MODELER 0.2512231840421528 MesoDyn 7.527286413248024E-4 Mesocite 0.003387278885961611 Mesoscale 0.0062100112909296195 Modules 0.0 Morphology 0.01580730146782085 ONETEP 7.527286413248024E-4 Polymorph 0.0016936394429808055 QMERA 1.881821603312006E-4 QSAR 5.645464809936018E-4 Quantum Mechanics 0.48268724124952955 Reflex 0.05306736921339857 Reflex Plus 9.40910801656003E-4 Semi-empirical 0.005269100489273617 Sorption 0.054196462175385776 Synthia 0.0011290929619872036 TURBOMOLE 1.881821603312006E-4 VAMP 7.527286413248024E-4 Visualization 0.7060594655626646 X-Cell 0.0016936394429808055 ZDOCK 0.02898005269100489

Year

2023 0.004495055439017081 2024 0.46553790830086905 2025 1.0 2026 0.6314054540005993 2027 0.0

Keywords

target 1.0 potential 0.3026173285198556 docking 0.21633574007220216 analysis 0.21407942238267147 visualization 0.16561371841155234 between 0.1492779783393502 novel 0.09386281588447654 promising 0.08041516245487365 energy 0.07879061371841155 binding 0.07247292418772563 cell 0.06164259927797834 activity 0.044584837545126356 stability 0.040974729241877256 performance 0.03898916967509025 including 0.022743682310469315 effective 0.017509025270758122 synthesized 0.01696750902527076 experimental 0.014259927797833935 development 0.013628158844765342 mechanism 0.013447653429602888 interaction 0.013357400722021661 enhanced 0.00884476534296029 strong 0.006498194945848376 protein 0.00351985559566787 design 0.0
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