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Application

Discovery Studio 1.0 Materials Studio 0.6201515827017388 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04336043360433604 Amorphous Cell 0.12804878048780488 Blends 0.0027100271002710027 CASTEP 0.34823848238482386 CDOCKER 0.19647696476964768 CHARMm 0.2350948509485095 COMPASS 0.2676151761517615 COMPASS III 0.0033875338753387536 COSMOconf 0.0 COSMOperm 0.0020325203252032522 COSMOquick 0.0020325203252032522 COSMOtherm 0.04336043360433604 Catalyst 0.07181571815718157 Classical Simulations 0.6863143631436315 Conformers 0.0 Crystallization 0.05623306233062331 DFTB Plus 0.0020325203252032522 DMol3 0.15514905149051492 DPD 0.0040650406504065045 Discover 0.006775067750677507 Forcite 0.2621951219512195 GULP 0.027777777777777776 LUDI 0.005420054200542005 LibDock 0.06504065040650407 LigandFit 0.014905149051490514 MCSS 0.0027100271002710027 MODELER 0.25745257452574527 MesoDyn 0.0033875338753387536 Mesocite 0.0033875338753387536 Mesoscale 0.009485094850948509 Morphology 0.018970189701897018 ONETEP 0.0027100271002710027 Polymorph 6.775067750677507E-4 QSAR 0.0 Quantum Mechanics 0.489159891598916 Reflex 0.03523035230352303 Reflex Plus 0.0020325203252032522 Semi-empirical 0.007452574525745257 Sorption 0.023712737127371274 TURBOMOLE 0.0 VAMP 0.0047425474254742545 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03048780487804878

Year

2021 0.0

Keywords

target 1.0 visualization 0.29528763769889843 docking 0.24724602203182375 potential 0.193390452876377 analysis 0.14443084455324356 between 0.13953488372093023 novel 0.09179926560587515 binding 0.08812729498164015 activity 0.0755813953488372 interaction 0.049877600979192166 protein 0.043451652386780906 well 0.028457772337821298 experimental 0.02539779681762546 synthesized 0.02233782129742962 synthesis 0.020195838433292534 drug 0.01438188494492044 energy 0.014075887392900856 compound 0.012239902080783354 cell 0.011627906976744186 mechanism 0.008261933904528763 inhibition 0.0055079559363525096 vitro 0.0030599755201958386 treatment 0.0027539779681762548 silico 0.0018359853121175031 chemical 0.0
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