TY - GEN
T1 - Multiscale simulation of ligand-receptor binding and dissociation in circulation
AU - Wensheng, Shen
AU - Changjiang, Zhang
AU - Jun, Zhang
PY - 2007
Y1 - 2007
N2 - We introduce a multiscale mathematical model for simulating ligand-receptor binding, dissociation and transport in blood circulation using a group of nonlinear differential equations. It is assumed that the biological interactions take place in capillaries, ligands bind and dissociate with receptors on the wall of capillary, and ligands are transported by blood stream. The blood stream in capillary is modeled as Newtonian laminar flow, and ligand transport is modeled by a general transport equation. A set of ordinary differential equations is used to describe the complex chemical kinetics due to binding and dissociation. The time-dependent solution of media flow is obtained using second order implicit Euler method to achieve high order time accuracy. The spatial distribution of ligands and receptors are obtained and visualized. Findings from this study have implications with regard to tumor growth and vascular diseases.
AB - We introduce a multiscale mathematical model for simulating ligand-receptor binding, dissociation and transport in blood circulation using a group of nonlinear differential equations. It is assumed that the biological interactions take place in capillaries, ligands bind and dissociate with receptors on the wall of capillary, and ligands are transported by blood stream. The blood stream in capillary is modeled as Newtonian laminar flow, and ligand transport is modeled by a general transport equation. A set of ordinary differential equations is used to describe the complex chemical kinetics due to binding and dissociation. The time-dependent solution of media flow is obtained using second order implicit Euler method to achieve high order time accuracy. The spatial distribution of ligands and receptors are obtained and visualized. Findings from this study have implications with regard to tumor growth and vascular diseases.
KW - Ligand-receptor interaction
KW - Multiscale modeling
KW - Nonlinear differential equation
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U2 - 10.1145/1233341.1233443
DO - 10.1145/1233341.1233443
M3 - Conference contribution
AN - SCOPUS:34248337944
SN - 1595936297
SN - 9781595936295
T3 - Proceedings of the Annual Southeast Conference
SP - 519
EP - 520
BT - Proceedings Of the 45th ACM Southeast Conference, ACMSE 2007
T2 - 45th Annual ACM Southeast Conference, ACMSE 2007
Y2 - 23 March 2007 through 24 July 2007
ER -