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Application

Discovery Studio 1.0 Materials Studio 0.30133168163518115 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.025145067698259187 Amorphous Cell 0.08752417794970986 Blends 9.671179883945841E-4 CASTEP 0.15522243713733075 CDOCKER 0.2059961315280464 CHARMm 0.24903288201160542 COMPASS 0.13974854932301742 COMPASS III 0.004352030947775629 COSMOmic 0.0 COSMOperm 4.8355899419729207E-4 COSMOtherm 0.023694390715667313 Catalyst 0.16731141199226304 Classical Simulations 0.4990328820116054 Crystallization 0.02804642166344294 DFTB Plus 0.0024177949709864605 DMol3 0.07640232108317214 DPD 0.0029013539651837525 Discover 0.006286266924564797 Forcite 0.16924564796905223 GULP 0.00918762088974855 LUDI 0.007253384912959381 LibDock 0.08172147001934237 LigandFit 0.009671179883945842 MCSS 0.0024177949709864605 MODELER 0.09526112185686654 MesoDyn 0.0 Mesocite 0.0024177949709864605 Mesoscale 0.004352030947775629 Morphology 0.008704061895551257 ONETEP 9.671179883945841E-4 Polymorph 4.8355899419729207E-4 QSAR 0.0014506769825918763 Quantum Mechanics 0.22872340425531915 Reflex 0.017891682785299807 Reflex Plus 0.0 Semi-empirical 0.0033849129593810446 Sorption 0.013056092843326886 TURBOMOLE 0.0 VAMP 4.8355899419729207E-4 Visualization 1.0 ZDOCK 0.04061895551257253

Year

2022 0.0

Keywords

target 1.0 visualization 0.40228945216680295 docking 0.36195148541837013 potential 0.2414826928318343 analysis 0.15290269828291086 binding 0.13791223766693922 activity 0.11992368492777324 novel 0.11420005451076587 between 0.10983919324066503 protein 0.09294085581902425 interaction 0.062414826928318345 synthesis 0.05396565821749796 vitro 0.050695012264922325 drug 0.04933224311801581 silico 0.047151812482965384 synthesized 0.04088307440719542 compound 0.03979285908967021 inhibition 0.03161624420823113 treatment 0.028618152085036794 cell 0.026437721449986372 well 0.014172799127827746 mechanism 0.007904061052057782 development 0.006268738075769964 design 0.004360861270100845 promising 0.0
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