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Application

Discovery Studio 1.0 Materials Studio 0.5244104948522086 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.041274817136886105 Amorphous Cell 0.11389759665621735 Blends 0.003134796238244514 CASTEP 0.3265412748171369 CDOCKER 0.21473354231974923 CHARMm 0.25444096133751304 COMPASS 0.20114942528735633 COMPASS III 0.001567398119122257 COSMOmic 5.224660397074191E-4 COSMOperm 0.0010449320794148381 COSMOquick 0.0 COSMOtherm 0.04649947753396029 Catalyst 0.0741901776384535 Classical Simulations 0.6248693834900731 Conformers 0.002612330198537095 Crystallization 0.04911180773249739 DFTB Plus 0.002612330198537095 DMol3 0.14994775339602925 DPD 0.0036572622779519333 Discover 0.009926854754440962 Forcite 0.2084639498432602 GULP 0.024555903866248695 LUDI 0.009404388714733543 LibDock 0.07262277951933124 LigandFit 0.017241379310344827 MCSS 0.004702194357366771 MODELER 0.2836990595611285 MesoDyn 0.0020898641588296763 Mesocite 0.00522466039707419 Mesoscale 0.008359456635318705 Morphology 0.015151515151515152 ONETEP 0.001567398119122257 Polymorph 0.0 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4644723092998955 Reflex 0.03343782654127482 Reflex Plus 5.224660397074191E-4 Semi-empirical 0.006792058516196447 Sorption 0.0219435736677116 Synthia 5.224660397074191E-4 VAMP 0.003134796238244514 Visualization 1.0 X-Cell 5.224660397074191E-4 ZDOCK 0.03500522466039707

Year

2021 0.0

Keywords

target 1.0 visualization 0.3067454455933038 docking 0.2690792712949286 potential 0.20630231413096997 analysis 0.1430329886755293 between 0.1277695716395864 novel 0.1019202363367799 binding 0.09428852781880846 activity 0.0792712949286066 protein 0.05489906450024618 interaction 0.043082225504677496 drug 0.02535696701132447 synthesized 0.02117183653372723 well 0.02117183653372723 synthesis 0.019448547513540127 experimental 0.019202363367799114 compound 0.01772525849335303 cell 0.008862629246676515 energy 0.0066469719350073855 inhibition 0.0054160512063023145 vitro 0.003200393894633186 silico 0.0027080256031511572 mechanism 9.847365829640572E-4 treatment 4.923682914820286E-4 development 0.0
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