Home / Journals / MCB / Vol.2, No.4, 2005
Table of Content
  • Open Access

    ARTICLE

    Forced Dissociation of Selectin-ligand Complexes Using Steered Molecular Dynamics Simulation

    Shouqin Lü1, Mian Long1,2
    Molecular & Cellular Biomechanics, Vol.2, No.4, pp. 161-178, 2005, DOI:10.3970/mcb.2005.002.161
    Abstract Selectin-ligand interactions are crucial to such biological processes as inflammatory cascade or tumor metastasis. How transient formation and dissociation of selectin-ligand bonds in blood flow are coupled to molecular conformation at atomic level, however, has not been well understood. In this study, steered molecular dynamics (SMD) simulations were used to elucidate the intramolecular and intermolecular conformational evolutions involved in forced dissociation of three selectin-ligand systems: the construct consisting of P-selectin lectin (Lec) and epidermal growth factor (EGF)-like domains (P-LE) interacting with synthesized sulfoglycopeptide or SGP-3, P-LE with sialyl Lewis X (sLeX), and E-LE with sLeX. SMD simulations were based on… More >

  • Open Access

    ARTICLE

    Misfolding Dynamics of Human Prion Protein

    Muhammad H. Zaman1
    Molecular & Cellular Biomechanics, Vol.2, No.4, pp. 179-190, 2005, DOI:10.3970/mcb.2005.002.179
    Abstract We report the results of longest to date simulation on misfolding of monomeric human prion protein (HuPrP). By comparing our simulation of a partially unfolded protein to the simulation of the native protein, we observe that the native protein as well as native regions in the partially unfolded protein remain in the native state, and the unfolded regions fold back with increased extended (sheet and PP-II) conformations. The misfolded regions show increased basin hopping from non-helical basins while the amino acids locked in the helical conformation tend to stay locked in that conformation. Our results also validate the hypothesis that… More >

  • Open Access

    ARTICLE

    The Effect of Matrix Tension-Compression Nonlinearity and Fixed Negative Charges on Chondrocyte Responses in Cartilage

    Morakot Likhitpanichkul1, X. Edward Guo2, Van C. Mow1,3
    Molecular & Cellular Biomechanics, Vol.2, No.4, pp. 191-204, 2005, DOI:10.3970/mcb.2005.002.191
    Abstract Thorough analyses of the mechano-electrochemical interaction between articular cartilage matrix and the chondrocytes are crucial to understanding of the signal transduction mechanisms that modulate the cell metabolic activities and biosynthesis. Attempts have been made to model the chondrocytes embedded in the collagen-proteoglycan extracellular matrix to determine the distribution of local stress-strain field, fluid pressure and the time-dependent deformation of the cell. To date, these models still have not taken into account a remarkable characteristic of the cartilage extracellular matrix given rise from organization of the collagen fiber architecture, now known as the tension-compression nonlinearity (TCN) of the tissue, as well… More >

  • Open Access

    ARTICLE

    Intracellular stress transmission through actin stress fiber network in adherent vascular cells

    S. Deguchi1,2, T. Ohashi2, M. Sato2
    Molecular & Cellular Biomechanics, Vol.2, No.4, pp. 205-216, 2005, DOI:10.3970/mcb.2005.002.205
    Abstract Intracellular stress transmission through subcellular structural components has been proposed to affect activation of localized mechano-sensing sites such as focal adhesions in adherent cells. Previous studies reported that physiological extracellular forces produced heterogeneous spatial distributions of cytoplasmic strain. However, mechanical signaling pathway involved in intracellular force transmission through basal actin stress fibers (SFs), a mechano-responsive cytoskeletal structure, remains elusive. In the present study, we investigated force balance within the basal SFs of cultured smooth muscle cells and endothelial cells by (i) removing the cell membrane and cytoplasmic constituents except for materials physically attaching to the substrate (i.e., SF--focal adhesion complexities)… More >

  • Open Access

    ARTICLE

    Systolic Modeling of the Left Ventricle as a Mechatronic System: Determination of Myocardial Fiber's Sarcomere Contractile Characteristics and New Performance Indices

    Dhanjoo N. Ghista1,2, Liang Zhong2, Leok P.Chua2, Eddie Y-K Ng2, Soo T.Lim3, Ru S. Tan3, TerranceS-J Chua3
    Molecular & Cellular Biomechanics, Vol.2, No.4, pp. 217-234, 2005, DOI:10.3970/mcb.2005.002.217
    Abstract Background: In this paper, the left ventricle (LV) is modeled as a cylinder with myocardial fibers located helically within its wall. A fiber is modeled into myocardial structural units (MSUs); the core entity of each MSU is the sarcomeric contractile element. The relationship between the sarcomere unit's contractile force and shortening velocity is expressed in terms of the LV model's wall stress and deformation, and hence in terms of the monitored LV pressure and volume. Then, the LV systolic performance is investigated in terms of a mechatronic (excitation-contraction) model of the sarcomere unit located within the LV cylindrical model wall.… More >

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