Lagrangian molecular dynamics using selected conformational degrees of freedom, with application to the pseudorotation dynamics of furanose rings.

abstract：:Suppressors of Cytokine Signaling (SOCS) proteins are negative regulators of JAK proteins that are receptor-associated tyrosine kinases, which play key roles in the phosphorylation and subsequent activation of several transcription factors named STATs. Unlike the other SOCS proteins, SOCS1 and 3 show, in the N-termina...

journal_title：Biopolymers

authors： La Manna S,Lopez-Sanz L,Leone M,Brandi P,Scognamiglio PL,Morelli G,Novellino E,Gomez-Guerrero C,Marasco D

更新日期：2017-11-20 00:00:00

abstract：:Several new biocompatible and degradable materials were prepared by chemical modification of sodium hyaluronate. The method of activation of hyaluronate by cyanogen bromide was used and subsequent reaction with nucleophile led to the formation of carbamate. This modification of hydroxyl groups of glycosaminoglycans pr...

journal_title：Biopolymers

authors： Mlcochová P,Bystrický S,Steiner B,Machová E,Koós M,Velebný V,Krcmár M

更新日期：2006-05-01 00:00:00

abstract：:A Monte Carlo method has been developed for generating the conformations of short single-stranded DNAs from arbitrary starting states. The chain conformers are constructed from energetically favorable arrangements of the constituent mononucleotides. Minimum energy states of individual dinucleotide monophosphate molecu...

journal_title：Biopolymers

authors： Erie DA,Breslauer KJ,Olson WK

更新日期：1993-01-01 00:00:00

abstract：:We suggest, using dynamical simulations of a simple heteropolymer modelling the alpha-carbon sequence in a protein, that generically the folded states of globular proteins correspond to statistically well-defined metastable states. This hypothesis, called the metastability hypothesis, states that there are several fre...

journal_title：Biopolymers

authors： Honeycutt JD,Thirumalai D

更新日期：1992-06-01 00:00:00

abstract：:Amidated kyotorphin (L-Tyr-L-Arg-NH2; KTP-NH2) causes analgesia when systemically administered. The lipophilic ibuprofen-conjugated derivative of KTP-NH2 has improved analgesic efficacy. However, fast degradation by peptidases impacts negatively in the pharmacodynamics of these drugs. In this work, selected derivative...

journal_title：Biopolymers

authors： Serrano ID,Ramu VG,Pinto AR,Freire JM,Tavares I,Heras M,Bardaji ER,Castanho MA

更新日期：2015-01-01 00:00:00

abstract：:This work concerns the aggregation properties of (Gly-Val-Gly-Val-Pro)(251) rec, a polypentapeptide reflecting a highly conserved repetitive unit of the bioelastomer, elastin. On raising the temperature of aqueous solutions above 25 degrees C, this polypeptide was already known to undergo concurrent conformational cha...

journal_title：Biopolymers

authors： Manno M,Emanuele A,Martorana V,San Biagio PL,Bulone D,Palma-Vittorelli MB,McPherson DT,Xu J,Parker TM,Urry DW

更新日期：2001-07-01 00:00:00

abstract：:Phosphorylation and dephosphorylation are key events in protein expression and regulation and in signal transduction. Phosphopeptides are very useful reagents for the study of these processes, and have been used to great advantage in the study of phosphatase substrate specificity, SH2 domain ligand specificity, and pr...

journal_title：Biopolymers

authors： McMurray JS,Coleman DR 4th,Wang W,Campbell ML

更新日期：2001-01-01 00:00:00

abstract：:Additive physical properties of DNA double strand polymers have been expanded in terms of 8 irreducible parameters. This provided consistency relations among the corresponding 10 duplex dimer contributions. To allow for oligomer analysis, end parameters were often added, and this would add extra degrees of freedom to ...

journal_title：Biopolymers

authors： Guerra JC

更新日期：2013-08-01 00:00:00

abstract：:We describe a method to determine the magnitude of protein-induced DNA bends relative to a set of standard A tract bends using comparative gel electrophoresis. The DNA bend of interest was that induced by the catabolite activator protein (CAP), the transcriptional activator protein of the lac operon. The set of compar...

journal_title：Biopolymers

authors： Zinkel SS,Crothers DM

更新日期：1990-01-01 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：:The degradation of elastin, the insoluble biopolymer of tropoelastin, can lead to the production of small peptides. These elastin-derived peptides (EDPs) are playing a key role in cellular behavior within the extracellular matrix, showing a great variety of biological effects such as chemotaxis, stimulation of cell pr...

journal_title：Biopolymers

authors： Moroy G,Alix AJ,Héry-Huynh S

更新日期：2005-07-01 00:00:00

abstract：:To date, several antigens based on the amino-terminal leucine/isoleucine heptad repeat (NHR) region of an HIV-1 envelope protein gp41 and fusion inhibitors based on the carboxy-terminal leucine/isoleucine heptad repeat (CHR) region of gp41 have been reported. We have developed a synthetic antigen targeting the membran...

journal_title：Biopolymers

authors： Nomura W,Mizuguchi T,Tamamura H

更新日期：2016-11-04 00:00:00

abstract：:Ultraviolet hyperchromicity experiments indicate that in DNA duplex formation, a C-T mismatch is destabilizing in the center of a duplex, but behaves as a stable base pair at the terminus of a duplex. The C-T base pair is thought to contain two hydrogen bonds, but has thermodynamic parameters (delta Ho and delta Go of...

journal_title：Biopolymers

authors： Vanhommerig SA,van Genderen MH,Buck HM

更新日期：1991-08-01 00:00:00

abstract：:A three-dimensional model of DNA/RNA triple helix that contains a poly(L-deoxyadenosine) (L-dA) chain is proposed based on computer-assisted model building and energy calculations. The model building was performed by a new method that systematically searches possible conformations of nucleotide units in the helical ch...

journal_title：Biopolymers

authors： Tomioka N,Itai A

更新日期：1992-12-01 00:00:00

abstract：:The phase content of amylose-water mixtures (0.7/0.3 w/w) has been analyzed by transmission Fourier transform infrared (FTIR) spectroscopy in the 1175-950 cm(-1) region. Spectra are obtained under three different conditions: (a) as a function of temperature (T) from 25 to 97 degrees C; (b) at room temperature (RT), af...

journal_title：Biopolymers

authors： Bernazzani P,Chapados C,Delmas G

更新日期：2001-03-01 00:00:00

abstract：:The conformational study on Arg-Gly-Asp (RGD)-containing tetrapeptides in the unhydrated and hydrated states has been carried out using the force field ECEPP/3 and the hydration shell model. The tetrapeptides studied here are H-RGDX-OH (X = Trp, Tyr, Phe, Leu, Val, Cys, Gln, and Ser), which show the inhibitory activit...

journal_title：Biopolymers

authors： Park HS,Kim C,Kang YK

更新日期：2002-04-15 00:00:00

abstract：:Bacteria contain a diverse set of RNAs to provide tight regulation of gene expression in response to environmental stimuli. Bacterial small RNAs (sRNAs) work in conjunction with protein cofactors to bind complementary mRNA sequences in the cell, leading to up- or downregulation of protein synthesis. In vivo imaging of...

journal_title：Biopolymers

authors： Kitto RZ,Christiansen KE,Hammond MC

更新日期：2021-01-01 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：:Bombolitins are five structurally related heptadecapeptides originally isolated from the venom of a bumblebee, acting at membrane level and able to enhance the activity of Phospholipase A2. The biological activity of this class of natural peptides seems to be related to the their ability to form amphiphilic helical st...

journal_title：Biopolymers

authors： Peggion E,Mammi S,Schievano E

更新日期：1997-01-01 00:00:00

abstract：:Dynamic and static intensity light scattering techniques were employed to identify conditions allowing preparation of homogeneous solutions of distinct oligomeric states of RecA protein. These hydrodynamically distinguishable oligomer populations of RecA protein were obtained in homogeneous pure quantities sufficient ...

journal_title：Biopolymers

authors： Budzynski DM,Gao X,Benight AS

更新日期：1996-04-01 00:00:00

abstract：:Spray drying is a way to generate protein solids (powders), which is also true for lyophilization. Sugars are used to protect proteins from conformational changes and chemical degradations arising from drying processes and storage conditions such as the humidity. The influence of trehalose and humidity on the conforma...

journal_title：Biopolymers

authors： French DL,Arakawa T,Li T

更新日期：2004-03-01 00:00:00

abstract：:We report on an unrestrained molecular dynamics simulation of the flavin mononucleotide (FMN)-RNA aptamer. The simulated average structure maintains both cross-strand and intermolecular FMN-RNA nuclear Overhauser effects from the nmr experiments and has all qualitative features of the nmr structure including the G10-U...

journal_title：Biopolymers

authors： Schneider C,Sühnel J

更新日期：1999-09-01 00:00:00

abstract：:We have studied by Raman and ir spectroscopy the structure of self-associated polyinosinic acid and polyguanylic acid in aqueous solution. The results are consistent with the formation of a four-stranded complex, which melts cooperatively near 60 degrees C in the case of poly(I) in the presence of K+ ions. The conform...

journal_title：Biopolymers

authors： Simard C,Savoie R

更新日期：1994-01-01 00:00:00

abstract：:Different hexameric forms of insulin have been crystallized from a variety of conditions. In the presence of 1% phenol, 1.0 M sodium chloride, and at a pH of 8.5, a rhombohedral form is produced with two monomers in the asymmetric unit, space group R3, a = 79.92 A and c = 40.39 A. The structure has been solved and ref...

journal_title：Biopolymers

authors： Smith GD,Dodson GG

更新日期：1992-04-01 00:00:00

abstract：:The use of peptide carriers, termed "cell-penetrating peptides (CPPs)" has attracted much attention due to their potential for cellular delivery of hydrophilic molecules with pharmacological interest, overcoming the membrane barrier. These peptides are able to deliver attached cargos in a nontoxic manner, with the upt...

journal_title：Biopolymers

authors： Henriques ST,Castanho MA,Pattenden LK,Aguilar MI

更新日期：2010-01-01 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：:Xylanase XYNII from Trichoderma longibrachiatum is a small protein of the molecular weight 21 kDa, belonging to the family 11 of glycosyl hydrolases, which catalyses hydrolysis of xylan. This article reports thermal stability study of xylanase XYN II conformation in the temperature range 15-65 degrees C by the small a...

journal_title：Biopolymers

authors： Kozak M

更新日期：2006-12-15 00:00:00

abstract：:We present a method for analysis of a fitness landscape of a biopolymer with significantly epistatic sites. The analysis is based on a quasi-additive fitness model. The fitness model is constructed with additive terms conducted by "site-fitness" and epistatic terms conducted by "pair-fitness," where the site-fitness i...

journal_title：Biopolymers

authors： Aita T,Hamamatsu N,Nomiya Y,Uchiyama H,Shibanaka Y,Husimi Y

更新日期：2002-07-05 00:00:00

abstract：:The magnitude and nature of lesion-induced energetic perturbations empirically correlate with mutagenicity/cytotoxicity profiles and can be predictive of lesion outcomes during polymerase-mediated replication in vitro. In this study, we assess the sequence and counterbase-dependent energetic impact of the Thymine glyc...

journal_title：Biopolymers

authors： Minetti CA,Remeta DP,Iden CR,Johnson F,Grollman AP,Breslauer KJ

更新日期：2015-09-01 00:00:00

abstract：:Interactions between biological macromolecules have characteristic values of affinity and specificity that are set according to the biological function that is served by the interaction in the organism. Here we examine the molecular mechanisms that are used to achieve the required values of affinity and specificity in...

journal_title：Biopolymers

authors： Szwajkajzer D,Carey J

更新日期：1997-01-01 00:00:00