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Application

Discovery Studio 1.0 Materials Studio 0.08033240997229917 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.00744047619047619 Amorphous Cell 0.022817460317460316 CASTEP 0.041666666666666664 CDOCKER 0.2113095238095238 CHARMm 0.26091269841269843 COMPASS 0.04117063492063492 COMPASS III 4.96031746031746E-4 COSMObase 0.0 COSMOconf 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.011904761904761904 Catalyst 0.17261904761904762 Classical Simulations 0.33630952380952384 Conformers 0.0 Crystallization 0.004464285714285714 DFTB Plus 0.001984126984126984 DMol3 0.018353174603174604 Discover 0.001984126984126984 Forcite 0.05009920634920635 GULP 9.92063492063492E-4 LUDI 0.007936507936507936 LibDock 0.08432539682539683 LigandFit 0.010416666666666666 MCSS 0.001984126984126984 MODELER 0.09623015873015874 MesoDyn 0.0 Mesocite 4.96031746031746E-4 Mesoscale 9.92063492063492E-4 Morphology 0.0 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.05853174603174603 Reflex 0.003472222222222222 Semi-empirical 0.002976190476190476 Sorption 0.003472222222222222 Synthia 0.0 VAMP 4.96031746031746E-4 Visualization 1.0 ZDOCK 0.042162698412698416

Year

2022 0.0

Keywords

target 1.0 visualization 0.503855179349648 docking 0.4656386188400939 potential 0.2852832718739524 binding 0.18806570566543748 analysis 0.17465638618840093 activity 0.15755950385517936 novel 0.14247401944351323 protein 0.13945692256118003 vitro 0.08581964465303386 drug 0.08481394569225612 silico 0.0821320817968488 synthesis 0.07777405296681193 between 0.0767683540060342 compound 0.06671136439825678 interaction 0.06671136439825678 inhibition 0.05732484076433121 synthesized 0.052296345960442504 treatment 0.0519611129735166 well 0.009386523633925578 development 0.007039892725444184 cell 0.006034193764666443 potent 0.006034193764666443 design 0.0030170968823332216 promising 0.0
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