Building hydrodynamic bead-shell models for rigid bioparticles of arbitrary shape.

@article{citeulike:1929842, abstract = {The calculation of hydrodynamic and other solution properties of rigid macromolecules, using bead-shell model methodologies, requires the specification of the macromolecular shape in a format that can be interfaced with existing programs for hydrodynamic computations. Here, a procedure is presented for such a structural specification that is applicable to arbitrarily shaped particles. A computer program (MAKEPIXB), in which the user inserts the code needed to determine the structure, produces an structural file that is interpreted by another program (HYDROPIX) which is in charge of the computation of properties. As simple and yet illustrative examples we consider two cases: (1) dimeric structures composed of ellipsoidal subunits; and (2) toroidal structures, presenting simple equations that predict the properties of toroids with varying radial ratios.}, address = {Facultad de Quimica, Universidad de Murcia, 30071 Murcia, Spain. jgt@um.es}, author = {Garciadelatorre, J. }, citeulike-article-id = {1929842}, issn = {0301-4622}, journal = {Biophys Chem}, keywords = {fluid-mechanics, rods}, month = {December}, number = {3}, pages = {265--274}, posted-at = {2007-11-25 16:06:12}, priority = {1}, title = {Building hydrodynamic bead-shell models for rigid bioparticles of arbitrary shape.}, url = {http://view.ncbi.nlm.nih.gov/pubmed/11804736}, volume = {94}, year = {2001} }

TY - JOUR ID - citeulike:1929842 L3 - citeulike-article-id:1929842 TI - Building hydrodynamic bead-shell models for rigid bioparticles of arbitrary shape. JF - Biophys Chem VL - 94 IS - 3 SP - 265 EP - 274 AD - Facultad de Quimica, Universidad de Murcia, 30071 Murcia, Spain. jgt@um.es SN - 0301-4622 N2 - The calculation of hydrodynamic and other solution properties of rigid macromolecules, using bead-shell model methodologies, requires the specification of the macromolecular shape in a format that can be interfaced with existing programs for hydrodynamic computations. Here, a procedure is presented for such a structural specification that is applicable to arbitrarily shaped particles. A computer program (MAKEPIXB), in which the user inserts the code needed to determine the structure, produces an structural file that is interpreted by another program (HYDROPIX) which is in charge of the computation of properties. As simple and yet illustrative examples we consider two cases: (1) dimeric structures composed of ellipsoidal subunits; and (2) toroidal structures, presenting simple equations that predict the properties of toroids with varying radial ratios. KW - fluid-mechanics KW - rods AU - Garciadelatorre, J PY - 2001/12/25/ UR - http://view.ncbi.nlm.nih.gov/pubmed/11804736 ER -