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Application

Discovery Studio 0.9209545115585384 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060850111856823264 Amorphous Cell 0.2827740492170022 Blends 0.0017897091722595079 CASTEP 0.29977628635346754 CDOCKER 0.1534675615212528 CHARMm 0.2505592841163311 COMPASS 0.3458612975391499 COMPASS III 0.11588366890380314 COSMObase 0.0035794183445190158 COSMOconf 0.006711409395973154 COSMOmic 0.0 COSMOperm 8.948545861297539E-4 COSMOplex 4.4742729306487697E-4 COSMOquick 0.0 COSMOtherm 0.06621923937360179 Catalyst 0.07203579418344519 Classical Simulations 1.0 Conformers 4.4742729306487697E-4 Crystallization 0.0814317673378076 DFTB Plus 0.0035794183445190158 DMol3 0.13691275167785236 DPD 0.0026845637583892616 Discover 0.0044742729306487695 Forcite 0.5391498881431768 GULP 0.012080536912751677 Kinetix 0.0 LUDI 0.0026845637583892616 LibDock 0.06353467561521253 LigandFit 0.0022371364653243847 MODELER 0.22684563758389262 Mesocite 0.004026845637583893 Mesoscale 0.006263982102908278 Morphology 0.018344519015659956 ONETEP 8.948545861297539E-4 Polymorph 0.0013422818791946308 QMERA 0.0 Quantum Mechanics 0.4304250559284116 Reflex 0.059955257270693514 Reflex Plus 4.4742729306487697E-4 Semi-empirical 0.004921700223713647 Sorption 0.058165548098434 Synthia 8.948545861297539E-4 TURBOMOLE 0.0 VAMP 4.4742729306487697E-4 Visualization 0.6568232662192394 X-Cell 8.948545861297539E-4 ZDOCK 0.02505592841163311

Year

2024 0.02247191011235955 2025 0.9396067415730337 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.31538828013339687 analysis 0.22558361124344925 docking 0.21367317770366842 visualization 0.16198189614101954 between 0.13434969032872796 promising 0.09313959028108623 novel 0.08742258218199142 binding 0.07336827060505002 energy 0.07098618389709385 cell 0.062172463077656025 performance 0.051929490233444495 stability 0.04811815150071463 activity 0.04287756074321105 strong 0.03168175321581706 including 0.02644116245831348 strategy 0.02191519771319676 enhanced 0.01810385898046689 mechanism 0.0140543115769414 effective 0.013816102906145784 development 0.01024297284421153 synthesized 0.009051929490233444 design 0.0026202953787517864 experimental 9.528346831824678E-4 therapeutic 0.0
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