A computer simulation of free-volume distributions and related structural properties in a model lipid bilayer.

abstract：:This paper reports on a coupled approach to determining the structure of the gramicidin A ion channel, utilizing solid state nuclear magnetic resonance (NMR) of isotopically labeled gramicidin channels aligned parallel to the magnetic field direction, and molecular dynamics (MD). MD computations using an idealized rig...

journal_title：Biophysical journal

authors： Chiu SW,Nicholson LK,Brenneman MT,Subramaniam S,Teng Q,McCammon JA,Cross TA,Jakobsson E

更新日期：1991-10-01 00:00:00

abstract：:The information theory measure of transfer entropy is used to extract the causality of correlated motions from molecular dynamics simulations. For each pair of correlated residues, the method quantifies which residue drives the correlated motions, and which residue responds. The measure reveals how correlated motions ...

journal_title：Biophysical journal

authors： Kamberaj H,van der Vaart A

更新日期：2009-09-16 00:00:00

abstract：:The widely used hydrophobic cannabinoid ligand CP-55,940 partitions with high efficiency into biomembranes. We studied the location, orientation, and dynamics of CP-55,940 in POPC bilayers by solid-state NMR. Chemical-shift perturbation of POPC protons from the aromatic ring-current effect, as well as 1H NMR cross-rel...

journal_title：Biophysical journal

authors： Kimura T,Cheng K,Rice KC,Gawrisch K

更新日期：2009-06-17 00:00:00

abstract：:To understand better the effect of electrostatics on the rigidity of the DNA double helix, we define DNA*, the null isomer of DNA, as the hypothetical structure that would result from DNA if its phosphate groups were not ionized. For the purposes of theoretical analysis, we model DNA* as identical to ordinary DNA but ...

journal_title：Biophysical journal

authors： Manning GS

更新日期：2006-11-15 00:00:00

abstract：:Macromolecular transport between the nucleus and cytoplasm occurs through the nuclear pore complexes (NPCs). The NPC in the budding yeast Saccharomyces cerevisiae is a 60-MDa structure embedded in the nuclear envelope and composed of ~30 proteins, termed nucleoporins or nups. Here we present a large-scale analysis of ...

journal_title：Biophysical journal

authors： Damelin M,Silver PA

更新日期：2002-12-01 00:00:00

abstract：:We investigate the isometric transient response of muscle using a quantitative stochastic model of the actomyosin cycle based on the swinging lever-arm hypothesis. We first consider a single pair of filaments, and show that when values of parameters such as the lever-arm displacement and the cross-bridge elasticity ar...

journal_title：Biophysical journal

authors： Vilfan A,Duke T

更新日期：2003-08-01 00:00:00

abstract：:We have used the elastic neutron scattering technique to investigate the dynamics of the two main saccharidic components of starch: amylose and amylopectin. The measurements were carried out in the temperature range of 20 to 320 K and at different hydration levels from the dry state up to 0.47 g saccharide/g D(2)O. In...

journal_title：Biophysical journal

authors： Di Bari M,Cavatorta F,Deriu A,Albanese G

更新日期：2001-08-01 00:00:00

abstract：:Why is the spine of a neuron so small that it can contain only small numbers of molecules and reactions inevitably become stochastic? We previously showed that, despite such noisy conditions, the spine exhibits robust, sensitive, and efficient features of information transfer using the probability of Ca2+ increase; ho...

journal_title：Biophysical journal

authors： Fujii M,Ohashi K,Karasawa Y,Hikichi M,Kuroda S

更新日期：2017-02-28 00:00:00

abstract：:Collagen fibrils form extracellular networks that regulate cell functions and provide mechanical strength to tissues. Collagen fibrillogenesis is an entropy-driven process promoted by warming and reversed by cooling. Here, we investigate the influence of noncovalent interactions mediated by the collagen triple helix o...

journal_title：Biophysical journal

authors： de Wild M,Pomp W,Koenderink GH

更新日期：2013-07-02 00:00:00

abstract：:The role of the extracellular Glu side chains of bacteriorhodopsin in the proton transport mechanism has been studied using the single mutants E9Q, E74Q, E194Q, and E204Q; the triple mutant E9Q/E194Q/E204Q; and the quadruple mutant E9Q/E74Q/E194Q/E204Q. Steady-state difference and deconvoluted Fourier transform infrar...

journal_title：Biophysical journal

authors： Lazarova T,Sanz C,Querol E,Padrós E

更新日期：2000-04-01 00:00:00

abstract：:Numerous isotypes of the structural protein tubulin have now been characterized in various organisms and their expression offers a plausible explanation for observed differences affecting microtubule function in vivo. While this is an attractive hypothesis, there are only a handful of studies demonstrating a direct in...

journal_title：Biophysical journal

authors： Rezania V,Azarenko O,Jordan MA,Bolterauer H,Ludueña RF,Huzil JT,Tuszynski JA

更新日期：2008-08-01 00:00:00

abstract：:Titin is a very large (>3 MDa) protein found in striated muscle where it is believed to participate in myogenesis and passive tension. A prominent feature in the A-band portion of titin is the presence of an 11-domain super-repeat of immunoglobulin superfamily and fibronectin-type-III-like domains. Seven overlapping c...

journal_title：Biophysical journal

authors： Head JG,Houmeida A,Knight PJ,Clarke AR,Trinick J,Brady RL

更新日期：2001-09-01 00:00:00

abstract：:Rearrangement of tertiary structure in response to mechanical force (termed tertiary structure elasticity) in the tandem Ig chain is the first mode of elastic response for muscle protein titin. Tertiary structure elasticity occurs at low stretching forces (few tens of pN), and was described at atomic resolution in a r...

journal_title：Biophysical journal

authors： Hsin J,Schulten K

更新日期：2011-02-16 00:00:00

abstract：:The activator protein-1 transcription factor is a heterodimer containing one of each of the Fos and Jun subfamilies of basic-region leucine-zipper proteins. We have previously shown by fluorescence cross-correlation spectroscopy (FCCS) that the fluorescent fusion proteins Fos-EGFP and Jun-mRFP1, cotransfected in HeLa ...

journal_title：Biophysical journal

authors： Vámosi G,Baudendistel N,von der Lieth CW,Szalóki N,Mocsár G,Müller G,Brázda P,Waldeck W,Damjanovich S,Langowski J,Tóth K

更新日期：2008-04-01 00:00:00

abstract：:The Ca(2+)-permeable cation channel TRPA1 acts as an ionotropic receptor for various pungent compounds and as a noxious cold sensor in sensory neurons. It is unclear what proportion of the TRPA1-mediated current is carried by Ca(2+) ions and how the permeation pathway changes during stimulation. Here, based on the rel...

journal_title：Biophysical journal

authors： Karashima Y,Prenen J,Talavera K,Janssens A,Voets T,Nilius B

更新日期：2010-03-03 00:00:00

abstract：:A method for combining calculations of residue pKa's with changes in the position of polar hydrogens has been developed. The Boltzmann distributions of proton positions in hydroxyls and neutral titratable residues are found in the same Monte Carlo sampling procedure that determines the amino acid ionization states at ...

journal_title：Biophysical journal

authors： Alexov EG,Gunner MR

更新日期：1997-05-01 00:00:00

abstract：:A computational analysis of d(GGGGTTTTGGGG)(2) guanine quadruplexes containing either lateral or diagonal four-thymidine loops was carried out using molecular dynamics (MD) simulations in explicit solvent, locally enhanced sampling (LES) simulations, systematic conformational search, and free energy molecular-mechanic...

journal_title：Biophysical journal

authors： Fadrná E,Spacková N,Stefl R,Koca J,Cheatham TE 3rd,Sponer J

更新日期：2004-07-01 00:00:00

abstract：:Many experiments have measured the effect of force on the dissociation of single selectin bonds, but it is not yet clear how the force dependence of molecular dissociation can influence the rolling of cells expressing selectin molecules. Recent experiments using constant-force atomic force microscopy or high-resolutio...

journal_title：Biophysical journal

authors： Caputo KE,Lee D,King MR,Hammer DA

更新日期：2007-02-01 00:00:00

abstract：:A growth cone is a motile structure at the tips of axons that is driven by the actin network and guides axon extension. Low actin adhesion to the substrate creates a stationary actin treadmill that allows leading-edge protrusion when adhesion increases in response to guidance cues. We use experimental measurements in ...

journal_title：Biophysical journal

authors： Craig EM,Van Goor D,Forscher P,Mogilner A

更新日期：2012-04-04 00:00:00

abstract：:The cell membrane having a transport system is inferred to be flexible when its function is being activated. For the brush border membrane vesicles prepared from rat small intestine, which have the co-transport system of Na+ and glucose, the membrane elasticity was measured as a function of the d-glucose concentration...

journal_title：Biophysical journal

authors： Miyamoto S,Maeda T,Fujime S

更新日期：1988-04-01 00:00:00

abstract：:Nanodiscs that hold a lipid bilayer surrounded by a boundary of scaffold proteins have emerged as a powerful tool for membrane protein solubilization and analysis. By combining nanodiscs and cell-free expression technologies, even completely detergent-free membrane protein characterization protocols can be designed. N...

journal_title：Biophysical journal

authors： Henrich E,Sörmann J,Eberhardt P,Peetz O,Mezhyrova J,Morgner N,Fendler K,Dötsch V,Wachtveitl J,Bernhard F,Bamann C

更新日期：2017-09-19 00:00:00

abstract：:The arrangement of side chains in alpha-helical regions of protein can be represented by helical net-diagrams. The addition of quantitative indices of the character of the residue at each net-point facilitates a straightforward examination of the groupings of residues of different character. As such the method complem...

journal_title：Biophysical journal

authors： Dunnill P

更新日期：1968-07-01 00:00:00

abstract：:Single-molecule studies allow the study of subtle activity differences due to local folding in proteins, but are time consuming and difficult because only a few molecules are observed in one experiment. We developed an assay where we can simultaneously measure the activity of hundreds of individual molecules. The assa...

journal_title：Biophysical journal

authors： Lee AI,Brody JP

更新日期：2005-06-01 00:00:00

abstract：:Quantitative analysis of DNA microarray data is complicated by uncertainties inherent to the experimental setup. Using computer simulations and real-time experimental results, we have previously demonstrated effects of multiplex reactions on a single sensing zone of an array, which may be a leading factor in erroneous...

journal_title：Biophysical journal

authors： Bishop J,Chagovetz AM,Blair S

更新日期：2008-03-01 00:00:00

abstract：:Nonnative protein aggregation, which is a common feature in biotechnology, is also a clinical feature in more than 20 serious degenerative diseases. We studied the specific events of bovine pancreatic ribonuclease A thermal aggregation by a combination of second derivative infrared analysis and two-dimensional infrare...

journal_title：Biophysical journal

authors： Yan YB,Zhang J,He HW,Zhou HM

更新日期：2006-04-01 00:00:00

abstract：:In addition to the annular or boundary lipids that surround the transmembrane surface of the potassium channel KcsA from Streptomyces lividans, x-ray crystallographic studies have detected one anionic lipid molecule bound at each protein-protein interface in the homotetrameric structure, at sites referred to as nonann...

journal_title：Biophysical journal

authors： Marius P,Zagnoni M,Sandison ME,East JM,Morgan H,Lee AG

更新日期：2008-03-01 00:00:00

abstract：:Bacteriorhodopsin proteoliposomes were used as a model system to explore the applicability of micromechanical cantilever arrays to detect conformational changes in membrane protein patches. The three main results of our study concern: 1), reliable functionalization of micromechanical cantilever arrays with proteolipos...

journal_title：Biophysical journal

authors： Braun T,Backmann N,Vögtli M,Bietsch A,Engel A,Lang HP,Gerber C,Hegner M

更新日期：2006-04-15 00:00:00

abstract：:It has been observed in numerical experiments that adding a cargo to a motor protein can regularize its gait. Here we explain these results via asymptotic analysis on a general stochastic motor protein model. This analysis permits a computation of various observables (e.g., the mean velocity) of the motor protein and ...

journal_title：Biophysical journal

authors： DeVille RE,Vanden-Eijnden E

更新日期：2008-09-15 00:00:00

abstract：:Two mesophilic/thermophilic variants of the G-domain of the elongation factor Tu were studied via molecular dynamics simulations. By analyzing the simulation data via the Voronoi space tessellation, we have found that the two proteins have the same macromolecular packing, while the water-exposed surface area is larger...

journal_title：Biophysical journal

authors： Melchionna S,Sinibaldi R,Briganti G

更新日期：2006-06-01 00:00:00

abstract：:The M2 protein from the influenza A virus forms a proton channel in the virion that is essential for infection. This tetrameric protein appears to form a four-helix bundle spanning the viral membrane. Here the solid-state NMR method, 2D polarization inversion spin exchange at magic angle (PISEMA), has been used to obt...

journal_title：Biophysical journal

authors： Song Z,Kovacs FA,Wang J,Denny JK,Shekar SC,Quine JR,Cross TA

更新日期：2000-08-01 00:00:00