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Application

Discovery Studio 1.0 Materials Studio 0.7518987341772152 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.049790600279199626 Amorphous Cell 0.16193578408562123 Blends 0.002791996277338297 CASTEP 0.41368078175895767 CDOCKER 0.19730107026523966 CHARMm 0.23825034899953468 COMPASS 0.275476966030712 COMPASS III 0.005583992554676594 COSMObase 0.0 COSMOconf 4.6533271288971617E-4 COSMOperm 0.0 COSMOquick 9.306654257794323E-4 COSMOtherm 0.05583992554676594 Catalyst 0.15960912052117263 Classical Simulations 0.7361563517915309 Conformers 9.306654257794323E-4 Crystallization 0.05258259655653792 DFTB Plus 0.0037226617031177293 DMol3 0.21126105165193113 DPD 0.006514657980456026 Discover 0.013029315960912053 Forcite 0.31596091205211724 GULP 0.028385295486272687 LUDI 0.007445323406235459 LibDock 0.07864122847836202 LigandFit 0.009306654257794323 MCSS 0.002791996277338297 MODELER 0.08980921358771522 MesoDyn 9.306654257794323E-4 Mesocite 0.00604932526756631 Mesoscale 0.010702652396463471 Morphology 0.01209865053513262 ONETEP 0.0037226617031177293 Polymorph 0.0018613308515588647 QSAR 0.002326663564448581 Quantum Mechanics 0.6170311772917636 Reflex 0.03815728245695672 Reflex Plus 4.6533271288971617E-4 Semi-empirical 0.007910656119125175 Sorption 0.029315960912052116 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0037226617031177293 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03955328059562587

Year

2022 0.0

Keywords

target 1.0 visualization 0.2784581409355551 docking 0.2354948805460751 potential 0.1845011041959446 between 0.13993174061433447 analysis 0.12065850230877334 novel 0.08532423208191127 binding 0.07769524191929332 activity 0.07267616944388677 energy 0.05601284882553704 interaction 0.048584621561935354 protein 0.036538847620959644 synthesis 0.032925115438666934 experimental 0.03212206384260189 synthesized 0.028307568761292912 cell 0.026500702670146557 well 0.0178678980124473 mechanism 0.011845011041959445 chemical 0.010841196546878137 compound 0.008030515960650473 drug 0.0056213611724553305 vitro 0.004015257980325236 promising 0.0012045773940975708 design 2.007628990162618E-4 silico 0.0
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