A minimalistic 3D pharmacophore model for cyclopentapeptide CXCR4 antagonists.

abstract：:A new triclinic crystal structure form of porcine pancreatic procarboxypeptidase B (PCPB) was obtained at higher resolution than the previously known tetragonal crystal structure. This new crystal polymorph has allowed for a corrected, accurate assignment of residues along the polypeptide chain based on the currently ...

journal_title：Biopolymers

authors： Fernández D,Boix E,Pallarès I,Avilés FX,Vendrell J

更新日期：2010-02-01 00:00:00

abstract：:Nucleolar targeting peptides (NrTPs) are a family of cell penetrating peptides (CPPs) derived from crotamine, a rattlesnake venom toxin. They were named NrTPs for their remarkable nucleolus-homing properties and have been studied for their potential as drug delivery vehicles. Live cell microscopy experiments were cond...

journal_title：Biopolymers

authors： Rodrigues M,Andreu D,Santos NC

更新日期：2015-03-01 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：:Elastin-like polypeptide (ELP) fusions have been designed to allow large-scale, nonchromatographic purification of many soluble proteins by using the inverse transition cycling (ITC) method; however, the sensitivity of the aqueous lower critical solubility phase transition temperature (T(t)) of ELPs to the addition of...

journal_title：Biopolymers

authors： Thapa A,Han W,Simons RH,Chilkoti A,Chi EY,López GP

更新日期：2013-01-01 00:00:00

abstract：:Molecular structures for parallel DNA and RNA double helices with Hoogsteen pairing are proposed for the first time. The DNA helices have sugars in the C2'-endo region and the phosphodiester conformations are (trans, gauche-), and the RNA helices have sugars in the C3'-endo region and the phosphodiester conformations ...

journal_title：Biopolymers

authors： Raghunathan G,Miles HT,Sasisekharan V

更新日期：1994-12-01 00:00:00

abstract：:The conformational behavior of the synthetic peptide, Boc-Gly-Val-Gly-Gly-Leu-OMe, containing the X-Gly-Gly and Gly-Gly-X (X = Val or Leu) repeating sequences and constituting a fragment of elastin was investigated by molecular mechanics and molecular dynamics (MD) simulation. The results suggest that, irrespective of...

journal_title：Biopolymers

authors： Lelj F,Tamburro AM,Villani V,Grimaldi P,Guantieri V

更新日期：1992-02-01 00:00:00

abstract：:The thermodynamics of the stacking to unstacking transitions of 24 single-stranded DNA sequences (ssDNA), 10-12 bases in length, in sodium phosphate buffer were determined from 10 to 95 degrees C, using differential scanning calorimetry (DSC). An additional 22 ssDNA sequences did not exhibit an S<=>U transition in thi...

journal_title：Biopolymers

authors： Ramprakash J,Lang B,Schwarz FP

更新日期：2008-11-01 00:00:00

abstract：:The conformational preferences of blocked alanine dipeptide (ADP), Ac-Ala-NHMe, in aqueous solution were studied using vibrational circular dichroism (VCD) together with density functional theory (DFT) calculations. DFT calculations of three most representative conformations of ADP surrounded by six explicit water mol...

journal_title：Biopolymers

authors： Mirtič A,Merzel F,Grdadolnik J

更新日期：2014-07-01 00:00:00

abstract：:Using high precision densimetric and ultrasonic measurements, we have determined, at 25 degrees C, the apparent molar volumes PhiV and the apparent molar compressibilities PhiK(S) of four nucleic acid duplexes-namely, the DNA duplex, poly(dIdC)poly(dIdC); the RNA duplex, poly(rA)poly(rU); and the two DNA/RNA hybrid du...

journal_title：Biopolymers

authors： Chalikian TV,Völker J,Srinivasan AR,Olson WK,Breslauer KJ

更新日期：1999-10-15 00:00:00

abstract：:Conformational analysis of the neurohypophyseal hormones oxytocin (OT) and arginine-vasopressin (AVP) has been carried out using two different computational approaches and three force fields, namely by the Electrostatically Driven Monte Carlo (EDMC) method, with the Empirical Conformational Energy Program for Peptides...

journal_title：Biopolymers

authors： Liwo A,Tempczyk A,Ołdziej S,Shenderovich MD,Hruby VJ,Talluri S,Ciarkowski J,Kasprzykowski F,Lankiewicz L,Grzonka Z

更新日期：1996-02-01 00:00:00

abstract：:Antagonism of the calcitonin gene-related peptide (CGRP) receptor may be a useful approach for migraine treatment. Selective PEGylated peptide antagonists to the CGRP receptor are described, derived from CGRP(8-37) with polymer derivatization at an engineered lysine-25 residue. Potent PEGylated peptides with improved ...

journal_title：Biopolymers

authors： Miranda LP,Shi L,Holder JR,Wright M,Gegg CV,Johnson E,Wild K,Stenkilsson M,Doellgast G,Manning BH,Salyers K

更新日期：2013-07-01 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：: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：:An improved model for calculating the CD of polypeptides has been developed. Excited state wavefunctions were derived from CNDO/S (complete neglect of differential overlap, spectroscopic) calculations on N-methylacetamide. Four discrete peptide-localized transitions were employed: pi 0 pi* (NV1), pi* + pi* (NV2), n pi...

journal_title：Biopolymers

authors： Manning MC,Woody RW

更新日期：1991-04-01 00:00:00

abstract：:The aim of this study was to develop a nondestructive method to quantitate relative amounts of n-3 and n-6 polyunsaturated fatty acid (PUFA) species in vegetable oils and oil seeds using Fourier transform IR spectroscopy (FTIR). The alkene Cbond;H stretching vibrations of unsaturated fatty acids in oils showed IR abso...

journal_title：Biopolymers

authors： Yoshida S,Yoshida H

更新日期：2003-12-01 00:00:00

abstract：:For systems involving highly and oppositely charged proteins, electrostatic forces dominate association and contribute to biomolecular complex stability. Using experimental or theoretical alanine-scanning mutagenesis, it is possible to elucidate the contribution of individual ionizable amino acids to protein associati...

journal_title：Biopolymers

authors： Gorham RD Jr,Kieslich CA,Nichols A,Sausman NU,Foronda M,Morikis D

更新日期：2011-11-01 00:00:00

abstract：:This brief account traces the development of a "competition dialysis" method used to characterize the structural and sequence selectivity of DNA binding compounds. The method was inspired by a simple "differential dialysis" method pioneered by Don Crothers to explore base-selective intercalator binding. Results from c...

journal_title：Biopolymers

authors： Chaires JB

更新日期：2015-09-01 00:00:00

abstract：:The elucidation of structure-function relationships in insoluble elastin is often approached using elastin-like polypeptides. In this manner, the characterization of the different regions in this extensive biopolymer may be facilitated in a "piece-wise" manner. Our solid-state NMR experiments indicate that (LGGVG)n ha...

journal_title：Biopolymers

authors： Kumashiro KK,Kurano TL,Niemczura WP,Martino M,Tamburro AM

更新日期：2003-10-01 00:00:00

abstract：:The X-ray diffraction analysis of a stereocontrolled heterochiral designed model peptide Boc-(D) Pro-Thr-OMe (1) revealed the existence of an unusual folded molecular structure, stabilized via an effective unconventional C---H…O type intramolecular hydrogen-bond, encompassing a noncovalent 12-membered ring-motif. Toge...

journal_title：Biopolymers

authors： Bhadbhade MM,Kishore R

更新日期：2012-01-01 00:00:00

abstract：:The interhelical interfaces have been examined in seven high-resolution globin chains. The profiles of hydrophobic contact, as measured by the residue solvent-accessible area loss upon folding, have been calculated. The seven globins studied differ in their overall loss of solvent-accessible area upon packing of their...

journal_title：Biopolymers

authors： Weaver DL

更新日期：1992-05-01 00:00:00

abstract：:Molecular dynamics simulation, with backbone constraints for 20 ps of equilibration and simulation, of a repeating polypeptide segment, Gln-Pro-His-Gln-Pro-Leu-Gln-Pro-His-Gln-Pro-Leu-Gln-Pro-Met-(Gln-Pro-Leu )4, constituting residues 112-138 of bovine amelolgenin, a 19.35 kD hydrophobic protein, are discussed. It is ...

journal_title：Biopolymers

authors： Renugopalakrishnan V,Pattabiraman N,Prabhakaran M,Strawich E,Glimcher MJ

更新日期：1989-01-01 00:00:00

abstract：:Human saliva contains hundreds of small proline-rich peptides originated by the proteolytic cleavage of the salivary basic Proline-Rich Proteins. Nevertheless only for few of them a specific biological activity has been assigned to date. Among them, the 1932 Da peptide (p1932) has been patented as an anti-HIV agent. I...

journal_title：Biopolymers

authors： Righino B,Pirolli D,Radicioni G,Marzano V,Longhi R,Arcovito A,Sanna MT,De Rosa MC,Paoluzi S,Cesareni G,Messana I,Castagnola M,Vitali A

更新日期：2016-09-01 00:00:00

abstract：:Over the past decade a large number of studies have focused attention on the role of nucleosomes as negative and positive regulators of specific nuclear functions. Due to the lack of an analytical method to determine the higher order conformation of the nucleosomal arrays that encompass specific genetic loci (e.g., pr...

journal_title：Biopolymers

authors： Georgel PT,Hansen JC

更新日期：2003-04-01 00:00:00

abstract：:N-ethylmaleimide sensitive factor (NSF) is a key protein of intracellular membrane traffic. NSF is a highly conserved protein belonging to the ATPases associated with other activities (AAA+ proteins). AAA+ share common domains and all transduce ATP hydrolysis into major conformational movements that are used to carry ...

journal_title：Biopolymers

authors： Ryu JK,Jahn R,Yoon TY

更新日期：2016-08-01 00:00:00

abstract：:Peptides, peptidomimetics, and peptide derivatives that self-assemble into fibrillar gels have received increasing interest as synthetic extracellular matrices for applications in 3D cell culture and regenerative medicine. Recently, several of these fibrillizing molecules have been functionalized with bioactive compon...

journal_title：Biopolymers

authors： Jung JP,Gasiorowski JZ,Collier JH

更新日期：2010-01-01 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：:Substance P, one of the mammalian tachykinins, is known to interact strongly with lipid bilayers and this interaction may play a role in the receptor-peptide recognition process. The conformation of substance P bound to vesicles consisting of perdeuterated phosphatidylcholine has been investigated by means of two-dime...

journal_title：Biopolymers

authors： Augé S,Bersch B,Tropis M,Milon A

更新日期：2000-10-15 00:00:00

abstract：:A method is presented for determining the concentrations of peptides and proteins having isodichroic points near 203 nm. The existence of an isodichroic point for a given substance indicates a local two-state (alpha-helix, random coil) population. The mean residue ellipticity at the isodichroic point, [theta lambda i]...

journal_title：Biopolymers

authors： Holtzer ME,Holtzer A

更新日期：1992-12-01 00:00:00

abstract：:Hemochromatosis factor E (HFE) is a member of class I MHC family and plays a significant role in the iron homeostasis. Denaturation of HFE induced by guanidinium chloride (GdmCl) was measured by monitoring changes in [θ]222 (mean residue ellipticity at 222 nm), intrinsic fluorescence emission intensity at 346 nm (F346...

journal_title：Biopolymers

authors： Khan P,Parkash A,Islam A,Ahmad F,Hassan MI

更新日期：2016-03-01 00:00:00

abstract：:Apelin is the endogenous ligand of APJ, which belongs to the superfamily of G protein-coupled receptors. In recent years, the apelin/APJ system has been detected in many tissues and emerges as a promising target for the treatment of various pathophysiological conditions. Pyr1-apelin-13 is the major isoform of apelin i...

journal_title：Biopolymers

authors： Murza A,Belleville K,Longpré JM,Sarret P,Marsault É

更新日期：2014-07-01 00:00:00