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Application

Discovery Studio 1.0 Materials Studio 0.4034670292318151 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.035620743844945 Amorphous Cell 0.106862231534835 Blends 0.0010476689366160294 CASTEP 0.20848611838658984 CDOCKER 0.2079622839182818 CHARMm 0.25248821372446306 COMPASS 0.18386589837611314 COMPASS III 0.006809848088004191 COSMObase 5.238344683080147E-4 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0010476689366160294 COSMOquick 5.238344683080147E-4 COSMOtherm 0.03823991618648507 Catalyst 0.1686746987951807 Classical Simulations 0.574122577265584 Conformers 5.238344683080147E-4 Crystallization 0.035620743844945 DFTB Plus 0.005238344683080147 DMol3 0.11157674174960712 DPD 0.001571503404924044 Discover 0.00785751702462022 Forcite 0.2079622839182818 GULP 0.012048192771084338 LUDI 0.006809848088004191 LibDock 0.08171817705605029 LigandFit 0.010476689366160294 MCSS 0.001571503404924044 MODELER 0.08381351492928235 MesoDyn 0.0010476689366160294 Mesocite 0.0041906757464641176 Mesoscale 0.00785751702462022 Morphology 0.00890518596123625 ONETEP 5.238344683080147E-4 Polymorph 0.0010476689366160294 QSAR 0.001571503404924044 Quantum Mechanics 0.3143006809848088 Reflex 0.02462022001047669 Reflex Plus 0.001571503404924044 Semi-empirical 0.007333682556312206 Sorption 0.01571503404924044 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.001571503404924044 Visualization 1.0 X-Cell 0.0 ZDOCK 0.041906757464641176

Year

2022 0.0

Keywords

target 1.0 visualization 0.3581887201735358 docking 0.3188720173535792 potential 0.22559652928416485 analysis 0.147234273318872 binding 0.11171366594360087 between 0.1079175704989154 novel 0.10249457700650759 activity 0.10140997830802603 protein 0.06995661605206074 interaction 0.05504338394793926 synthesis 0.04528199566160521 synthesized 0.036605206073752714 drug 0.03389370932754881 vitro 0.031453362255965296 compound 0.028741865509761388 silico 0.027928416485900217 cell 0.024945770065075923 inhibition 0.022234273318872018 treatment 0.014370932754880694 mechanism 0.012472885032537961 experimental 0.01220173535791757 well 0.010845986984815618 energy 0.005151843817787419 design 0.0
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