The sensitivity of conformational free energies of the alanine dipeptide to atomic site charges.

abstract：:Raman spectra of series of aqueous solutions of peptides containing two amino acids, glycine-X, alanine-X, and serine-X, where X is an uncharged amino acid, show that the amide III band shifts systematically to lower frequencies as the side chain of the X amino acid becomes larger. The range of this shift is about 20 ...

journal_title：Biopolymers

authors： Weaver JL,Williams RW

更新日期：1990-01-01 00:00:00

abstract：:The mode coupling diffusion theory is applied to the derivation of local dynamics in proteins in solution. The rotational dynamics of the bonds along the protein sequence are calculated and compared to the experimentally measured nmr (15)N spin-lattice relaxation time T(1), at 36.5, 60.8, and 81.1 MHz of the vnd/NK-2 ...

journal_title：Biopolymers

authors： La Penna G,Fausti S,Perico A,Ferretti JA

更新日期：2000-08-01 00:00:00

abstract：:In this paper, we studied the quenching mechanism of intrinsic fluorescence of type I collagen by a new type photosensitizer and fluorescence quencher, hypocrellin B (HB). It was indicated that type I collagen can emit Tyr-intrinsic fluorescence with the excitation wavelength of Tyr (lambda(ex) = 269 nm). Its fluoresc...

journal_title：Biopolymers

authors： Li YH,Yue JC,Cai GP

更新日期：1997-08-01 00:00:00

abstract：:Nodal, a member of the transforming growth factor-β superfamily, is a potent embryonic morphogen also implicated in tumor progression. Up to date structural information on the interaction of Nodal with its molecular partners are unknown. To deepen our understanding about mechanisms underlying both embryonic developmen...

journal_title：Biopolymers

authors： Calvanese L,Marasco D,Doti N,Saporito A,D'Auria G,Paolillo L,Ruvo M,Falcigno L

更新日期：2010-11-01 00:00:00

abstract：:Bovine carbonmonoxy hemoglobin investigated with light scattering studies is found to dissociate from its native tetramer structure into dimers and monomers. The values of the hydrated tetramer radius, RT = 32.1 A, and the fractional dissociation vs pH, have been obtained at different ionic strengths from the autocorr...

journal_title：Biopolymers

authors： Lunelli L,Zuliani P,Baldini G

更新日期：1994-06-01 00:00:00

abstract：:The formation mechanism of an alanine-based peptide has been studied by all-atom molecular dynamics simulations with a recently developed all-atom point-charge force field and the Generalize Born continuum solvent model at an effective salt concentration of 0.2M. Thirty-two simulations were conducted. Each simulation ...

journal_title：Biopolymers

authors： Chowdhury S,Zhang W,Wu C,Xiong G,Duan Y

更新日期：2003-01-01 00:00:00

abstract：:Tropoelastin is a complex polymeric protein composed primarily of repeating segments of Val-Pro-Gly-Gly, Val-Pro-Gly-Val-Gly, and Ala-Pro-Gly-Val-Gly-Val that occurs in connective tissue and arteries. It has rubber-like extensible properties. A synthetic cyclic dodecapeptide, with a double repeat of the hexapeptide se...

journal_title：Biopolymers

authors： Karle IL,Urry DW

更新日期：2005-03-01 00:00:00

abstract：:Oxaliplatin (OXA) was coupled to PEGylated polyamidoamine dendrimers of fourth generation (G4-PEG@OXA) in the comparison to PEGylated ones of odd generation (G3.5-PEG@OXA). Proton nuclear magnetic resonance and Fourier-transform infrared spectroscopy were used to confirm the successful incorporation of OXA as well as ...

journal_title：Biopolymers

authors： Ho MN,Bach LG,Nguyen DH,Nguyen CH,Nguyen CK,Tran NQ,Nguyen NV,Hoang Thi TT

更新日期：2019-07-01 00:00:00

abstract：:The dissociation and assembly of quadruplex DNA structures (and a few quadruplex RNAs) have been characterized at several levels of rigor, ranging from gross descriptions of factors that govern each process, to semiquantitative comparisons of the relative abilities of these factors to induce stabilization or destabili...

journal_title：Biopolymers

authors： Hardin CC,Perry AG,White K

更新日期：2000-01-01 00:00:00

abstract：:Structural formation of segments plays pivotal roles in protein folding and stability, but how the segment influences the structural ensemble remains elusive. We engineered two hybrid proteins by replacing the central helical segment of immunoglobulin G binding domain of streptococcal protein G with an alpha-helix or ...

journal_title：Biopolymers

authors： Du HN,Zhang TY,Chang YG,Lin DH,Hu HY

更新日期：2005-09-01 00:00:00

abstract：:The experimental thermodynamic data for the dissolution of five simple hydrocarbon molecules in water were combined with the solute-solvent interaction energy from a computer simulation study to yield data on the enthalpy change of solvent reorganization. Similar data were generated for dissolving these same solute mo...

journal_title：Biopolymers

authors： Lee B

更新日期：1991-07-01 00:00:00

abstract：:GSK3β plays an important role in many physiological functions; dysregulated GSK3β is involved in human diseases such as diabetes, cancer, and Alzheimer's disease. This study uses MD simulations to determine the interaction between GSK3β and a peptide derived from GSKIP, a novel GSK3β interacting protein. Results show ...

journal_title：Biopolymers

authors： Tang XN,Lo CW,Chuang YC,Chen CT,Sun YC,Hong YR,Yang CN

更新日期：2011-07-01 00:00:00

abstract：:Synthetic model membrane-interactive peptides--both of natural and designed sequence--have become convenient and systematic tools for determination of how the membrane-spanning segments within integral membrane proteins confer protein structure and biology. Conformational studies on these peptides demonstrate that the...

journal_title：Biopolymers

authors： Deber CM,Li SC

更新日期：1995-01-01 00:00:00

abstract：:The comprehensive structural analysis reported herein of eight N-glycopeptides, in three different solvents, is based on quantitative CD experiments, homonuclear nuclear Overhauser effect measurements, and molecular dynamics (MD) calculations. Although several orientations of the two amide planes attached to the carbo...

journal_title：Biopolymers

authors： Perczel A,Kollát E,Hollósi M,Fasman GD

更新日期：1993-04-01 00:00:00

abstract：:The synthetic peptide Gly-L-Ala-L-Phe (C14H19N3O4.2H2O; GAF) crystallizes in the monoclinic space group P2I1), with a = 5.879(1), b = 7.966(1), c = 17.754(2) A, beta = 95.14(2) degrees, Dx = 1.321 g cm-3, and Z = 2. The crystal structure was solved by direct methods using the program SHELXS-86 and refined to an R valu...

journal_title：Biopolymers

authors： Ramasubbu N,Parthasarathy R

更新日期：1989-07-01 00:00:00

abstract：:Experimental and computational methods of infrared microspectroscopy (IRI-MSP) and infrared spectral mapping (ISM) are presented. These methods are subsequently applied to the analysis of cirrhotic liver tissue. The sensitivity of infrared spectral mapping toward spectral changes caused by disease will be demonstrated...

journal_title：Biopolymers

authors： Diem M,Chiriboga L,Yee H

更新日期：2000-01-01 00:00:00

abstract：:MD simulations have been carried out to understand the dynamical behavior of the DNA substrate of the Thermus aquaticus DNA methyltransferase (M.TaqI) in the methylation process at N6 of adenine. As starting structures, an x-ray structure of M.TaqI in complex with DNA and cofactor analogue (PDB code: 1G 38) and free d...

journal_title：Biopolymers

authors： Wibowo FR,Rauch C,Trieb M,Liedl KR

更新日期：2005-10-15 00:00:00

abstract：:Surface-enhanced Raman spectroscopy (SERS) in a silver sol assisted by density functional theory (DFT) calculations is shown to be a promising tool in the characterization of platinum complexes and their interaction with nucleic acid bases. This is demonstrated using cisplatin and guanine as a model. The energies and ...

journal_title：Biopolymers

authors： Giese B,McNaughton D

更新日期：2003-01-01 00:00:00

abstract：:While end capping in alpha-helices is well understood, the concept of capping a beta-hairpin is a relatively recent development; to date, favorable Coulombic interactions are the only example of sidechains at the termini influencing the overall stability of a beta-hairpin. While cross-strand hydrophobic residues gener...

journal_title：Biopolymers

authors： Eidenschink L,Crabbe E,Andersen NH

更新日期：2009-07-01 00:00:00

abstract：:The solution conformations of three trispeptides--L,L,L-1,3,5-C6H3[CH2NHCOCH(X)-NHBoc++ +]3, X = CH3 (Ala) or CH2CH(CH3)2 (Leu), and L,L,L-N(CH2CH2NHCOCH[CH2-CH(CH3)2]NHBoc)3--have been determined from their ir and vibrational CD (VCD) spectra in the NH stretching and carbonyl stretching regions in apolar solution. Th...

journal_title：Biopolymers

authors： Paterlini MG,Freedman TB,Nafie LA,Tor Y,Shanzer A

更新日期：1992-07-01 00:00:00

abstract：:The matrix metalloproteinase (MMP)/matrixin family has been implicated in both normal tissue remodeling and a variety of diseases associated with abnormal turnover of extracellular matrix components. To better understand MMP behaviors and to aid in the design of MMP inhibitors, a variety of sequence specificity studie...

journal_title：Biopolymers

authors： Nagase H,Fields GB

更新日期：1996-01-01 00:00:00

abstract：:Synthesis and CD and (13)C(alpha)-NMR studies in a near-neutral saline buffer are reported for a 65-residue peptide ((190)Tm(254)) comprising residues 190-254 of the alpha-tropomyosin chain. CD on a version disulfide cross-linked via the N-terminal cysteine side chains indicates that this dimer is highly helical and m...

journal_title：Biopolymers

authors： Emerson Holtzer M,Mints L,Hogue Angeletti R,d'Avignon DA,Holtzer A

更新日期：2001-10-05 00:00:00

abstract：:Interactions between the diketopiperazine cyclo-alanylglycine and four fluorinated alcohols in water-fluoroalcohol mixtures were examined by (1)H[(19)F] intermolecular nuclear Overhauser effects (NOE) experiments. The alcohols studied were trifluoroethanol, hexafluoroacetone trihydrate, 1,1,1,3,3,3-hexafluoroisopropan...

journal_title：Biopolymers

authors： Strickler MA,Gerig JT

更新日期：2002-08-15 00:00:00

abstract：:In continuation of our studies on the determination of the structural features of functionalized peptides in solution by combining time-resolved fluorescence data and molecular mechanics results, the conformational features of a series of linear, L-(alphaMe)Val-based peptides have been investigated in methanol. These ...

journal_title：Biopolymers

authors： Pispisa B,Mazzuca C,Palleschi A,Stella L,Venanzi M,Formaggio F,Polese A,Toniolo C

更新日期：2000-01-01 00:00:00

abstract：:CD and nmr spectroscopy were used to compare the conformational properties of two related peptides. One of the peptides, Model AB, was designed to adopt a helix-turn-extended strand (alpha beta) tertiary structure in water that might be stabilized by hydrophobic interactions between two leucine residues in the amino-t...

journal_title：Biopolymers

authors： Butcher DJ,Bruch MD,Moe GR

更新日期：1995-08-01 00:00:00

abstract：:A theoretical method is proposed to identify structural domains in proteins of known structures. It is based on the distribution of the local axes of the polypeptide chain. In particular, a statistical analysis is applied to the contributions of the local axes to the absolute writhing number, a topological property of...

journal_title：Biopolymers

authors： Anselmi C,Bocchinfuso G,Scipioni A,De Santis P

更新日期：2001-02-01 00:00:00

abstract：:This work theoretically investigates the mechanical properties of a novel silk-derived biopolymer as polymerized in silico from sericin and elastin-like monomers. Molecular Dynamics simulations and Steered Molecular Dynamics were the principal computational methods used, the latter of which applies an external force o...

journal_title：Biopolymers

authors： Golas EI,Czaplewski C

更新日期：2014-09-01 00:00:00

abstract：:This article measures the rates of folding and unfolding of the collagen-like peptide (Pro-Hyp-Gly)(10) over overlapping concentration and temperature ranges. The data allow calculation of the orders of the folding and the unfolding reactions, the effective Arrhenius activation energies, and numerical solution of the ...

journal_title：Biopolymers

authors： Miles CA

更新日期：2007-09-01 00:00:00

abstract：:High-level quantum-chemical and quantum-dynamics calculations are reported on the tautomerization equilibrium and rate constants of guanine and its complexes with one and two water molecules. The results are used to estimate the fraction of guanine present in the cell during DNA synthesis as the unwanted tautomer that...

journal_title：Biopolymers

authors： Gorb L,Podolyan Y,Leszczynski J,Siebrand W,Fernández-Ramos A,Smedarchina Z

更新日期：2001-01-01 00:00:00

abstract：:Recently, the use of hybrid double network (DN) hydrogels has become prominent due to their enhanced mechanical properties, which has opened the door for new applications of these soft materials. Only a few of these gels have demonstrated both injectable and moldable capabilities. In this work, we report the mechanica...

journal_title：Biopolymers

authors： Qiao Z,Mieles M,Ji HF

更新日期：2020-06-01 00:00:00