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Application

Discovery Studio 1.0 Materials Studio 0.43826943369679916 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060526315789473685 Amorphous Cell 0.15460526315789475 Blends 6.578947368421052E-4 CASTEP 0.32302631578947366 CDOCKER 0.21644736842105264 CHARMm 0.38355263157894737 COMPASS 0.18289473684210528 COMPASS III 0.05394736842105263 COSMObase 0.003947368421052632 COSMOconf 0.003947368421052632 COSMOmic 0.0 COSMOperm 6.578947368421052E-4 COSMOtherm 0.05526315789473684 Catalyst 0.10526315789473684 Classical Simulations 0.7934210526315789 Conformers 0.0 Crystallization 0.029605263157894735 DFTB Plus 0.003289473684210526 DMol3 0.11513157894736842 DPD 0.0 Discover 0.0013157894736842105 Forcite 0.2769736842105263 GULP 0.01644736842105263 LUDI 0.006578947368421052 LibDock 0.09868421052631579 LigandFit 0.001973684210526316 MODELER 0.39013157894736844 Mesocite 0.002631578947368421 Mesoscale 0.003289473684210526 Modules 0.0 Morphology 0.007236842105263158 Polymorph 0.0013157894736842105 QMERA 0.0 QSAR 6.578947368421052E-4 Quantum Mechanics 0.4296052631578947 Reflex 0.018421052631578946 Reflex Plus 0.0 Semi-empirical 0.003947368421052632 Sorption 0.030921052631578946 Visualization 1.0 X-Cell 0.001973684210526316 ZDOCK 0.034868421052631576

Year

2023 9.332711152589828E-4 2024 0.617358842743817 2025 1.0 2026 0.4101726551563229 2027 0.0

Keywords

analysis 1.0 target 0.924434638720353 potential 0.4335355763927192 docking 0.42112520683949256 visualization 0.22448979591836735 binding 0.16519580805295092 between 0.13706563706563707 promising 0.09100937672366244 novel 0.08301158301158301 activity 0.07391064533921676 stability 0.06646442360728075 protein 0.06232763375620518 including 0.05515719801434087 therapeutic 0.05239933811362383 silico 0.04136789851075565 interaction 0.03943739658025373 strong 0.030612244897959183 energy 0.01820187534473249 vitro 0.012410369553226696 treatment 0.009928295642581356 mechanism 0.00827357970215113 development 0.003309431880860452 compound 0.0019305019305019305 effective 0.001654715940430226 inhibition 0.0
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