Showing papers by "Lu Lu published in 2017"
TL;DR: OpenRBC is presented, a coarse-grained molecular dynamics code, which is capable of performing an unprecedented in silico experiment-simulating an entire mammal red blood cell lipid bilayer and cytoskeleton as modeled by multiple millions of mesoscopic particles-using a single shared memory commodity workstation.
46 citations
TL;DR: A microscopic model is applied to capture the dynamic process of polymerization of HbS fibers, while maintaining the mechanical properties of polymerized HBS fibers by the mesoscopic model, thus providing a means of bridging the subcellular and cellular phenomena in sickle cell disease.
20 citations
Posted Content•
TL;DR: The power and versatility of the CG particle methods are demonstrated through simulating the dynamical processes involving significant topological changes, such as lipid self-assembly, vesicle fusion and membrane budding.
Abstract: In this work, we review previously developed coarse-grained (CG) particle models for biological membrane and red blood cells (RBCs) and discuss the advantages of the CG particle method over the continuum and atomic simulations on modeling biological phenomena. CG particle models can largely increase the length scale and time scale of atomic simulations by eliminating fast degrees of freedom while preserving the mesoscopic structures and properties of the simulated system. One the other hand, CG particle models can be used to capture microstructural alternations in diseased RBCs and simulate topological changes of biological membrane and RBCs, which are major challenges to typical continuum representations of membrane and RBCs. The power and versatility of the CG particle methods are demonstrated through simulating the dynamical processes involving significant topological changes, such as lipid self-assembly, vesicle fusion and membrane budding.
3 citations