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If atomic models of subunit structures in the complex are available from x-ray crystallography or homology modeling studies, fitting these atomic models into cryoelectron-microscopy maps has yielded pseudoatomic models of macromolecular complexes.
To construct structural models of macromolecular assemblies by combining such diverse types of information, the open-source Integrative Modeling Platform (IMP) program was developed (http://integrativemodeling.org) (Russel et al., 2012).
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In this work, a theoretical model of macromolecular drug release presented by Batycky et al. (1997), as shown in Equation (1), is used to quantify drug desorption rate and effective drug diffusivity from drug release profiles.
The sedimentation of dissolved macromolecules is analyzed in both the regions of very dilute solution and in semidilute regime employing the fractal aggregate model of macromolecular coils and blobs.
The 10 SL sites were characterized using an open-source software multiscale modeling of macromolecular systems (MMM, (Polyhach et al., 2011 ) based on the crystal structure data of α-actinin-2.
In a simplified model of macromolecular crowding, intracellular background molecules are considered inert hard-spheres that exert steric repulsions on other molecules and thereby increase the total free energy of the system.
The interaction of cyclodextrins (CDs) with poly N-methacryloyltryptophan) (poly N-methacryloyltryptophanryloylpMTrplandnine) (pMPhe) withinvestigated as a simpoly N-methacryloylphenylalaninear recognition of poly N-methacryloylphenylalanine
In fact, the intrinsic data quality is superb, leading to fits with models for macromolecular sedimentation and diffusion that rival that of the best conventional detection system, but only after characteristic data structure of this detection system is accounted for.
The presented formulae may also be used for modeling the transport of macromolecular or colloidal objects in microfluidic systems.
Nonlinear PBE was first solved on a 417×225×417 coarse grid about 7 times larger than the size of macromolecular models in all axes, with single Debye-Huckle boundary conditions, and then on a fine grid, with the same number of grid points, that just spans the system under investigation.
The vast majority of macromolecular models in the PDB are derived by X-ray crystallography.
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