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Application

Discovery Studio 1.0 Materials Studio 0.11067101584342964 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.009948415622697125 Amorphous Cell 0.03352984524686809 Blends 7.369196757553427E-4 CASTEP 0.051584377302873984 CDOCKER 0.17833456153279292 CHARMm 0.27855563743551953 COMPASS 0.06742815033161385 COMPASS III 0.007369196757553427 COSMOquick 0.0 COSMOtherm 0.011422254974207811 Catalyst 0.19712601326455417 Classical Simulations 0.38504053058216653 Conformers 0.0 Crystallization 0.01105379513633014 DFTB Plus 7.369196757553427E-4 DMol3 0.026160648489314663 DPD 7.369196757553427E-4 Discover 0.0018422991893883567 Forcite 0.06963890935887988 GULP 0.003316138540899042 LUDI 0.007000736919675755 LibDock 0.07295504789977893 LigandFit 0.008106116433308769 MCSS 3.6845983787767134E-4 MODELER 0.07811348563006633 MesoDyn 0.0 Mesocite 7.369196757553427E-4 Mesoscale 0.0014738393515106854 Morphology 0.002210759027266028 ONETEP 0.0 QSAR 0.0 Quantum Mechanics 0.07627118644067797 Reflex 0.00847457627118644 Semi-empirical 7.369196757553427E-4 Sorption 0.006632277081798084 Visualization 1.0 X-Cell 0.0 ZDOCK 0.029476787030213707

Year

2023 0.0

Keywords

target 1.0 docking 0.5073818897637795 visualization 0.4950787401574803 potential 0.32677165354330706 analysis 0.21973425196850394 binding 0.18873031496062992 protein 0.15649606299212598 activity 0.14739173228346455 novel 0.14271653543307086 silico 0.0967027559055118 drug 0.09178149606299213 vitro 0.09153543307086615 between 0.08956692913385826 interaction 0.0843996062992126 compound 0.07849409448818898 synthesis 0.06348425196850394 synthesized 0.05733267716535433 inhibition 0.0531496062992126 treatment 0.04453740157480315 development 0.027066929133858268 promising 0.014517716535433071 potent 0.0054133858267716535 active 0.0027066929133858267 cell 2.4606299212598425E-4 mechanism 0.0
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