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Application

Discovery Studio 1.0 Materials Studio 0.8087930319369556 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07138114209827358 Amorphous Cell 0.23638778220451528 Blends 0.00298804780876494 CASTEP 0.4216467463479416 CDOCKER 0.19754316069057104 CHARMm 0.31706507304116865 COMPASS 0.37682602921646746 COMPASS III 0.037848605577689244 COSMObase 6.640106241699867E-4 COSMOconf 6.640106241699867E-4 COSMOmic 3.3200531208499334E-4 COSMOperm 0.0013280212483399733 COSMOplex 0.0 COSMOquick 0.0016600265604249668 COSMOtherm 0.054780876494023904 Catalyst 0.13313413014608233 Classical Simulations 1.0 Conformers 0.0013280212483399733 Crystallization 0.07934926958831341 DFTB Plus 0.0063081009296148734 DMol3 0.20086321381142097 DPD 0.00298804780876494 Discover 0.004316069057104913 Forcite 0.4804116865869854 GULP 0.03253652058432935 Kinetix 0.0 LUDI 0.0033200531208499337 LibDock 0.08432934926958831 LigandFit 0.00597609561752988 MCSS 9.9601593625498E-4 MODELER 0.299800796812749 MesoDyn 0.0026560424966799467 Mesocite 0.00398406374501992 Mesoscale 0.008964143426294821 Morphology 0.015272244355909695 ONETEP 0.0013280212483399733 Polymorph 0.0013280212483399733 QMERA 0.0 QSAR 0.0016600265604249668 Quantum Mechanics 0.6092297476759628 Reflex 0.06208499335989376 Semi-empirical 0.009296148738379814 Sorption 0.04714475431606906 Synthia 0.0016600265604249668 TURBOMOLE 6.640106241699867E-4 VAMP 0.0023240371845949536 Visualization 0.9223107569721115 X-Cell 3.3200531208499334E-4 ZDOCK 0.033200531208499334

Year

2024 0.0

Keywords

target 1.0 potential 0.2931347150259067 docking 0.25129533678756477 visualization 0.1983160621761658 analysis 0.19792746113989637 between 0.15181347150259067 novel 0.10634715025906735 binding 0.08406735751295337 activity 0.0677461139896373 energy 0.05867875647668394 interaction 0.04753886010362694 promising 0.04689119170984456 protein 0.03536269430051813 cell 0.03341968911917098 stability 0.023575129533678758 synthesized 0.02189119170984456 mechanism 0.01994818652849741 effective 0.019559585492227978 synthesis 0.017875647668393783 experimental 0.017746113989637307 development 0.014248704663212436 including 0.011269430051813472 vitro 0.0029792746113989636 silico 0.0010362694300518134 compound 0.0
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