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Application

Discovery Studio 1.0 Materials Studio 0.8181818181818182 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.053768844221105526 Amorphous Cell 0.1748743718592965 Blends 0.003015075376884422 CASTEP 0.4467336683417085 CDOCKER 0.1964824120603015 CHARMm 0.23919597989949748 COMPASS 0.2974874371859296 COMPASS III 0.006030150753768844 COSMObase 0.0 COSMOconf 5.025125628140704E-4 COSMOperm 0.0 COSMOquick 0.0010050251256281408 COSMOtherm 0.06030150753768844 Catalyst 0.16381909547738693 Classical Simulations 0.7768844221105528 Conformers 0.0010050251256281408 Crystallization 0.05678391959798995 DFTB Plus 0.004020100502512563 DMol3 0.22814070351758794 DPD 0.007035175879396985 Discover 0.01407035175879397 Forcite 0.3412060301507538 GULP 0.030653266331658293 LUDI 0.008040201005025126 LibDock 0.08040201005025126 LigandFit 0.009045226130653266 MCSS 0.003015075376884422 MODELER 0.08090452261306533 MesoDyn 0.0010050251256281408 Mesocite 0.006532663316582915 Mesoscale 0.011557788944723618 Morphology 0.01306532663316583 ONETEP 0.004020100502512563 Polymorph 0.0020100502512562816 QSAR 0.002512562814070352 Quantum Mechanics 0.6663316582914572 Reflex 0.04120603015075377 Reflex Plus 5.025125628140704E-4 Semi-empirical 0.008542713567839196 Sorption 0.03165829145728643 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.004020100502512563 Visualization 1.0 X-Cell 0.0 ZDOCK 0.04020100502512563

Year

2022 0.0

Keywords

target 1.0 visualization 0.26788685524126454 docking 0.22296173044925124 potential 0.18115640599001664 between 0.1449667221297837 analysis 0.12084026622296173 novel 0.08236272878535773 binding 0.07445923460898503 activity 0.06905158069883527 energy 0.0663477537437604 interaction 0.052204658901830285 experimental 0.03868552412645591 protein 0.036605657237936774 synthesis 0.03348585690515807 cell 0.032653910149750415 synthesized 0.028910149750415972 well 0.020590682196339433 chemical 0.016430948419301164 mechanism 0.016014975041597337 compound 0.009775374376039933 promising 0.005199667221297837 drug 0.004575707154742097 design 0.004367720465890183 vitro 0.003535773710482529 silico 0.0
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