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Application

Discovery Studio 1.0 Materials Studio 0.702920443101712 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04914640455250905 Amorphous Cell 0.13450594930160373 Blends 0.002586652871184687 CASTEP 0.4273150543197103 CDOCKER 0.21055354371443352 CHARMm 0.2488360062079669 COMPASS 0.2757371960682876 COMPASS III 0.002586652871184687 COSMOconf 0.0010346611484738748 COSMOmic 0.0 COSMOperm 0.0015519917227108122 COSMOquick 0.0015519917227108122 COSMOtherm 0.04966373512674599 Catalyst 0.07139161924469736 Classical Simulations 0.7315054319710295 Conformers 0.0010346611484738748 Crystallization 0.061045007759958615 DFTB Plus 0.002586652871184687 DMol3 0.19348163476461458 DPD 0.007242628039317123 Discover 0.012933264355923435 Forcite 0.27159855147439216 GULP 0.03621314019658562 LUDI 0.009311950336264873 LibDock 0.07035695809622348 LigandFit 0.017071908949818936 MCSS 0.0046559751681324365 MODELER 0.2783238489394723 MesoDyn 0.004138644593895499 Mesocite 0.005173305742369374 Mesoscale 0.01396792550439731 Morphology 0.01758923952405587 ONETEP 0.0031039834454216243 Polymorph 0.0010346611484738748 QMERA 0.0 QSAR 5.173305742369374E-4 Quantum Mechanics 0.6068287635799275 Reflex 0.04035178479048112 Reflex Plus 0.0020693222969477496 Semi-empirical 0.007759958613554061 Sorption 0.028970512157268494 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.004138644593895499 Visualization 1.0 X-Cell 5.173305742369374E-4 ZDOCK 0.03414381789963787

Year

2021 0.0

Keywords

target 1.0 visualization 0.2742857142857143 docking 0.2323076923076923 potential 0.19384615384615383 between 0.14813186813186813 analysis 0.14461538461538462 novel 0.09274725274725275 binding 0.0832967032967033 activity 0.07186813186813187 interaction 0.05450549450549451 protein 0.04351648351648352 well 0.038461538461538464 energy 0.03626373626373627 experimental 0.03604395604395604 synthesized 0.026593406593406595 drug 0.01912087912087912 synthesis 0.01912087912087912 compound 0.015824175824175824 cell 0.014065934065934066 mechanism 0.012747252747252748 chemical 0.011868131868131869 inhibition 0.0037362637362637363 promising 0.002857142857142857 development 0.0015384615384615385 vitro 0.0
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