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Application

Discovery Studio 1.0 Materials Studio 0.22851335656213706 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.021719038817005546 Amorphous Cell 0.0743992606284658 Blends 9.242144177449168E-4 CASTEP 0.10397412199630314 CDOCKER 0.205637707948244 CHARMm 0.256007393715342 COMPASS 0.11414048059149723 COMPASS III 0.003234750462107209 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 4.621072088724584E-4 COSMOtherm 0.018022181146025877 Catalyst 0.17190388170055454 Classical Simulations 0.4676524953789279 Conformers 0.0 Crystallization 0.021256931608133085 DFTB Plus 0.0018484288354898336 DMol3 0.05868761552680222 DPD 0.0018484288354898336 Discover 0.005083179297597043 Forcite 0.14695009242144177 GULP 0.006469500924214418 LUDI 0.00878003696857671 LibDock 0.08317929759704251 LigandFit 0.009704251386321626 MCSS 0.0027726432532347504 MODELER 0.10582255083179297 MesoDyn 0.0 Mesocite 0.0018484288354898336 Mesoscale 0.003234750462107209 Morphology 0.006931608133086876 ONETEP 0.0 Polymorph 0.0 QSAR 0.0013863216266173752 Quantum Mechanics 0.16081330868761554 Reflex 0.013401109057301294 Reflex Plus 0.0 Semi-empirical 0.003234750462107209 Sorption 0.009704251386321626 TURBOMOLE 0.0 VAMP 9.242144177449168E-4 Visualization 1.0 ZDOCK 0.0411275415896488

Year

2022 0.0

Keywords

target 1.0 visualization 0.4264987681357788 docking 0.39912400766493294 potential 0.2526690391459075 analysis 0.15658362989323843 binding 0.15275116342732 activity 0.1283876266082672 novel 0.11908020804817958 protein 0.10840405146454969 between 0.10019162332329593 interaction 0.06788940596769778 drug 0.060498220640569395 vitro 0.060498220640569395 synthesis 0.05995072543115248 silico 0.05830823980290172 compound 0.04681084040514646 synthesized 0.04215713112510266 inhibition 0.03859841226389269 treatment 0.03394470298384889 cell 0.021352313167259787 well 0.012592389816589104 mechanism 0.005474952094169176 design 0.0019162332329592116 development 0.0019162332329592116 promising 0.0
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