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Application

Discovery Studio 1.0 Materials Studio 0.5769230769230769 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04694167852062589 Amorphous Cell 0.13513513513513514 Blends 0.001422475106685633 CASTEP 0.27880512091038406 CDOCKER 0.19914651493598862 CHARMm 0.2233285917496444 COMPASS 0.24039829302987198 COMPASS III 0.001422475106685633 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.049786628733997154 Catalyst 0.06401137980085349 Classical Simulations 0.6756756756756757 Conformers 0.001422475106685633 Crystallization 0.06258890469416785 DFTB Plus 0.001422475106685633 DMol3 0.15647226173541964 DPD 0.004267425320056899 Discover 0.008534850640113799 Forcite 0.28733997155049784 GULP 0.01849217638691323 LUDI 0.011379800853485065 LibDock 0.07254623044096728 LigandFit 0.01991465149359886 MCSS 0.005689900426742532 MODELER 0.27311522048364156 MesoDyn 0.002844950213371266 Mesocite 0.005689900426742532 Mesoscale 0.00995732574679943 Morphology 0.01991465149359886 ONETEP 0.001422475106685633 Polymorph 0.0 QMERA 0.0 Quantum Mechanics 0.42816500711237554 Reflex 0.041251778093883355 Semi-empirical 0.004267425320056899 Sorption 0.031294452347083924 VAMP 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.02702702702702703

Year

2021 0.0

Keywords

target 1.0 visualization 0.30417495029821073 docking 0.2538104705102717 potential 0.2094102054340623 between 0.1517561298873426 analysis 0.1411530815109344 novel 0.09940357852882704 activity 0.09078860172299535 binding 0.08813783962889331 protein 0.054340622929092114 interaction 0.0390987408880053 synthesized 0.031146454605699137 well 0.030483764082173626 synthesis 0.025182239893969515 compound 0.02385685884691849 experimental 0.02385685884691849 active 0.02253147779986746 cell 0.021206096752816435 inhibition 0.0145791915175613 energy 0.013916500994035786 drug 0.011928429423459244 chemical 0.008614976805831677 development 0.004638833664678595 mechanism 0.003976143141153081 promising 0.0
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