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Application

Discovery Studio 0.9791018230324589 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05463059313215401 Amorphous Cell 0.27471383975026015 Blends 0.0015608740894901144 CASTEP 0.28407908428720086 CDOCKER 0.16649323621227888 CHARMm 0.2601456815816857 COMPASS 0.34755463059313213 COMPASS III 0.1113423517169615 COSMObase 0.005202913631633715 COSMOconf 0.007284079084287201 COSMOmic 0.0 COSMOperm 5.202913631633715E-4 COSMOplex 0.0 COSMOquick 5.202913631633715E-4 COSMOtherm 0.06659729448491156 Catalyst 0.0712799167533819 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07440166493236212 DFTB Plus 0.003121748178980229 DMol3 0.13111342351716962 DPD 0.0015608740894901144 Discover 0.005202913631633715 Forcite 0.5296566077003122 GULP 0.014568158168574402 Kinetix 0.0 LUDI 0.003121748178980229 LibDock 0.0712799167533819 LigandFit 0.003121748178980229 MODELER 0.2497398543184183 Mesocite 0.003121748178980229 Mesoscale 0.004162330905306972 Morphology 0.015088449531737774 ONETEP 0.001040582726326743 Polymorph 0.0036420395421436005 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.40894901144641 Reflex 0.05359001040582726 Reflex Plus 5.202913631633715E-4 Semi-empirical 0.0036420395421436005 Sorption 0.06503642039542143 Synthia 5.202913631633715E-4 TURBOMOLE 0.0 Visualization 0.6529656607700313 X-Cell 0.0015608740894901144 ZDOCK 0.029136316337148804

Year

2024 0.07088607594936709 2025 0.9628691983122363 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.31596452328159647 analysis 0.22865853658536586 docking 0.2225609756097561 visualization 0.15022172949002216 between 0.12472283813747229 promising 0.09312638580931264 novel 0.09007760532150776 binding 0.07511086474501108 energy 0.06873614190687362 cell 0.05515521064301552 activity 0.045177383592017735 performance 0.03492239467849224 stability 0.03409090909090909 strong 0.030210643015521066 including 0.02688470066518847 effective 0.013580931263858093 synthesized 0.0102549889135255 strategy 0.007760532150776054 development 0.003880266075388027 therapeutic 0.0033259423503325942 experimental 0.002771618625277162 enhanced 0.0024944567627494456 mechanism 8.314855875831486E-4 design 0.0
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