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Application

Discovery Studio 0.783410138248848 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07616279069767441 Amorphous Cell 0.27209302325581397 Blends 0.0069767441860465115 CASTEP 0.5186046511627908 CDOCKER 0.13313953488372093 CHARMm 0.21511627906976744 COMPASS 0.42616279069767443 COMPASS III 0.02616279069767442 COSMObase 5.813953488372093E-4 COSMOconf 5.813953488372093E-4 COSMOmic 0.0 COSMOperm 5.813953488372093E-4 COSMOplex 0.0 COSMOquick 5.813953488372093E-4 COSMOtherm 0.075 Catalyst 0.16511627906976745 Classical Simulations 1.0 Conformers 0.005813953488372093 Crystallization 0.08604651162790698 DFTB Plus 0.005813953488372093 DMol3 0.2622093023255814 DPD 0.0034883720930232558 Discover 0.010465116279069767 Forcite 0.5523255813953488 GULP 0.04127906976744186 LUDI 0.004069767441860465 LibDock 0.0563953488372093 LigandFit 0.0069767441860465115 MCSS 0.0 MODELER 0.06162790697674419 MesoDyn 0.002325581395348837 Mesocite 0.00813953488372093 Mesoscale 0.013953488372093023 Morphology 0.018604651162790697 ONETEP 0.0011627906976744186 Polymorph 0.0017441860465116279 QSAR 5.813953488372093E-4 Quantum Mechanics 0.7633720930232558 Reflex 0.06395348837209303 Reflex Plus 5.813953488372093E-4 Reflex QPA 0.0 Semi-empirical 0.009302325581395349 Sorption 0.04302325581395349 TURBOMOLE 5.813953488372093E-4 VAMP 0.0029069767441860465 Visualization 0.8534883720930233 X-Cell 0.0017441860465116279 ZDOCK 0.025

Year

2023 0.0

Keywords

target 1.0 visualization 0.19672897196261682 potential 0.18808411214953272 docking 0.18621495327102805 between 0.15630841121495326 analysis 0.13457943925233645 energy 0.09228971962616822 novel 0.07780373831775701 cell 0.05630841121495327 experimental 0.053504672897196265 binding 0.04929906542056075 interaction 0.043457943925233646 activity 0.04018691588785047 synthesized 0.03995327102803738 chemical 0.024766355140186914 mechanism 0.023130841121495327 promising 0.017523364485981307 stability 0.01542056074766355 protein 0.012383177570093457 effective 0.010280373831775701 well 0.009579439252336449 higher 0.007710280373831775 synthesis 0.005373831775700935 design 0.0016355140186915889 surface 0.0
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