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Application

Discovery Studio 1.0 Materials Studio 0.5974270473799812 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.042492917847025496 Amorphous Cell 0.14636449480642116 Blends 0.002360717658168083 CASTEP 0.3149197355996223 CDOCKER 0.20018885741265344 CHARMm 0.24173748819641172 COMPASS 0.24787535410764872 COMPASS III 0.004721435316336166 COSMOconf 0.0 COSMOperm 0.0 COSMOquick 4.7214353163361664E-4 COSMOtherm 0.044381491973559964 Catalyst 0.1619452313503305 Classical Simulations 0.6836638338054769 Conformers 4.7214353163361664E-4 Crystallization 0.044381491973559964 DFTB Plus 0.0028328611898017 DMol3 0.16100094428706327 DPD 0.005193578847969783 Discover 0.012747875354107648 Forcite 0.279508970727101 GULP 0.0226628895184136 LUDI 0.007554296506137866 LibDock 0.07979225684608121 LigandFit 0.009442870632672332 MCSS 0.0028328611898017 MODELER 0.091123701605288 MesoDyn 9.442870632672333E-4 Mesocite 0.0056657223796034 Mesoscale 0.009442870632672332 Morphology 0.012275731822474031 ONETEP 0.002360717658168083 Polymorph 4.7214353163361664E-4 QSAR 0.002360717658168083 Quantum Mechanics 0.4683663833805477 Reflex 0.030689329556185082 Reflex Plus 0.0 Semi-empirical 0.0066100094428706326 Sorption 0.028800755429650614 TURBOMOLE 0.0 VAMP 0.0033050047214353163 Visualization 1.0 ZDOCK 0.040132200188857416

Year

2022 0.0

Keywords

target 1.0 visualization 0.30676328502415456 docking 0.26613965744400525 potential 0.19543258673693456 between 0.1267018006148441 analysis 0.12604303908651734 binding 0.09134826526130874 novel 0.08673693456302152 activity 0.08168642951251646 interaction 0.050944224857268336 protein 0.048967940272288096 synthesis 0.035792709705753184 energy 0.03513394817742644 cell 0.025472112428634168 synthesized 0.025032938076416336 experimental 0.022617479139218268 well 0.014712340799297322 compound 0.01339481774264383 drug 0.01339481774264383 vitro 0.012955643390426 silico 0.00878348704435661 mechanism 0.007246376811594203 inhibition 0.005050505050505051 chemical 0.0021958717610891525 treatment 0.0
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