Developments in the US-SOMO Bead Modeling Suite: New Features in the Direct Residue-to-Bead Method, Improved Grid Routines, and Influence of Accessible Surface Area Screening

The US‐SOMO suite provides a flexible interface for accurately computing solution parameters from 3D structures of biomacromolecules through bead‐modeling approaches. We present an extended analysis of the influence of accessible surface area screening, overlap reduction routines, and approximations...

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Veröffentlicht in:	Macromolecular bioscience 2010-07, Vol.10 (7), p.746-753
Hauptverfasser:	Brookes, Emre, Demeler, Borries, Rocco, Mattia
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Amino Acids - analysis Approximation biopolymers Computation computer modeling Grid method Humans Macromolecular Substances - chemistry Mathematical models Microspheres Models, Molecular molecular dynamics Routines Screening Solutions - chemistry structure-property relationships Surface area Surface Properties Three dimensional ultracentrifugation Ultracentrifugation - methods
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