Improved model of hydrated calcium ion for molecular dynamics simulations using classical biomolecular force fields.

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：:Peptides based on 2-amino-2,3-dihydro-1H-cyclopenta[b]anthracene-2-carboxylic acid (antAib), a fluorescent, achiral, alpha-amino acid belonging to the class of C(i) (alpha)-->C(i) (alpha) cyclized, C(alpha,alpha)-disubstituted glycines, combined with L-Ala, up to the hexamer level, were synthesized by solution methods...

journal_title：Biopolymers

authors： Wright K,Lohier JF,Wakselman M,Mazaleyrat JP,Peggion C,Formaggio F,Toniolo C

更新日期：2007-01-01 00:00:00

abstract：:Caspases comprise a family of dimeric cysteine proteases that control apoptotic programmed cell death and are therefore critical in both organismal development and disease. Specific inhibition of individual caspases has been repeatedly attempted, but has not yet been attained. Caspase-9 is an upstream or initiator cas...

journal_title：Biopolymers

authors： Huber KL,Ghosh S,Hardy JA

更新日期：2012-01-01 00:00:00

abstract：:Cellulose acetate (DS = 2.45) was extensively investigated by Circular Dichroism (CD) in acetonitrile and dioxane. We found great differences between the CD spectra of a 1 wt % acetonitrile solution and the corresponding dioxane solution of cellulose acetate (CA) indicating that the macromolecules exist in those solut...

journal_title：Biopolymers

authors： Meissner D,Einfeldt J,Schareina T

更新日期：1999-08-01 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：: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：:Serine palmitoyltransferase (SPT) catalyses the first step in the de novo biosynthesis of sphingolipids (SLs). It uses a decarboxylative Claisen-like condensation reaction to couple L-serine with palmitoyl-CoA to generate a long-chain base product, 3-ketodihydrosphingosine. SLs are produced by mammals, plants, yeast, ...

journal_title：Biopolymers

authors： Raman MC,Johnson KA,Clarke DJ,Naismith JH,Campopiano DJ

更新日期：2010-09-01 00:00:00

abstract：:The secondary structure of a 38 kDa core protein from pig skin proteodermatan sulfate (PDS), was investigated in solution using CD and Fourier transform (FT) ir spectroscopy. Both techniques generally have provided complementary data on the secondary structures of proteins. CD spectral analysis has shown that the core...

journal_title：Biopolymers

authors： Renugopalakrishnan V,Damle SP,Horowitz PM,Moore S,Hutson TB,Gregory JD

更新日期：1989-11-01 00:00:00

abstract：:We present a novel infrared method to investigate the functionality of a protein monolayer tethered to a metal substrate. The approach employs Surface Enhanced Infrared Absorption Spectroscopy (SEIRAS), which renders high surface sensitivity by enhancing the signal of the adsorbed protein by up to approximately 2 orde...

journal_title：Biopolymers

authors： Ataka K,Heberle J

更新日期：2006-07-01 00:00:00

abstract：:The pulsed-field gel electrophoresis (PFG) is a newly developing technique used in the fractionation of large DNA fragments. Advances in PFG demand a better understanding in the corresponding mechanisms of DNA dynamics in the gel network. Detailed experiments are needed to verify and to extend existing theoretical pre...

journal_title：Biopolymers

authors： Chu B,Wang ZL,Xu RL,Lalande M

更新日期：1990-03-01 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：:Amyloid aggregates have been implicated in the pathogenesis of diseases such as type 2 diabetes, Alzheimer's, Parkinson's, and prion disease. Recently determined microcrystal structures of several short peptide segments derived from fibril-forming proteins revealed coexistence of alternative aggregation modes (amyloid...

journal_title：Biopolymers

authors： Berhanu WM,Masunov AE

更新日期：2012-01-01 00:00:00

abstract：:Among the most exciting functional features of G-protein coupled receptors (GPCRs) that are coming into focus lately are those relating to the role and structural characteristics of their oligomerization (mostly homo- and heterodimers). The structural underpinnings of these novel functional insights are still not clea...

journal_title：Biopolymers

authors： Filizola M,Weinstein H

更新日期：2002-01-01 00:00:00

abstract：:The DNA-binding protein HU from Bacillus stearothermophilus (HUBst) is a dimer with a molecular weight of 195 kDa that is capable of bending DNA. An x-ray structure has been determined previously [Tanaka et al. 1984) Nature, vol. 310, pp. 376-381], but no structure could be established for a large part of the supposed...

journal_title：Biopolymers

authors： Boelens R,Vis H,Vorgias CE,Wilson KS,Kaptein R

更新日期：1996-01-01 00:00:00

abstract：:Porins from outer membrane of Gram-negative bacteria have a highly stable structure. Our previous studies on porin from Paracoccus denitrificans showed that the outer membrane protein porin is extremely stable toward heat, pH, and chemical denaturants. The major question we have addressed in this paper is whether the ...

journal_title：Biopolymers

authors： Sukumaran S,Hauser K,Maier E,Benz R,Mäntele W

更新日期：2006-07-01 00:00:00

abstract：:We report on the conformation of a tetrasaccharide fragment in the repeating subunit of the cell wall polysaccharide of Streptococcus mitis J22, a receptor for the lectin of Actinomyces viscosus T14V in a bacterial coaggregation that is important in the ecological interactions of oral bacteria. Although there is consi...

journal_title：Biopolymers

authors： Xu Q,Mohan S,Bush CA

更新日期：1996-03-01 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：:Although many anticancer drugs exert their biological activity by forming DNA interstrand crosslinks (ICLs), the thermodynamics of biologically relevant long crosslinked DNAs has not been intensively studied in contrast to short duplexes. Here, we carry out computer modeling of the shift of melting temperature of long...

journal_title：Biopolymers

authors： Chang CL,Lando DY,Fridman AS,Hu CK

更新日期：2012-10-01 00:00:00

abstract：:alpha,beta-Dehydro amino acid residues are known to constrain the peptide backbone to the beta-bend conformation. A pentapeptide containing only one alpha,beta-dehydrophenylalanine (delta Phe) residue has been synthesized and crystallized, and its solid state conformation has been determined. The pentapeptide Boc-Leu-...

journal_title：Biopolymers

authors： Rajashankar KR,Ramakumar S,Mal TK,Jain RM,Chauhan VS

更新日期：1995-02-01 00:00:00

abstract：:Structural data produced by a 2-ns molecular dynamics (MD) simulation on Geobacillus alanine racemase (AlaR; PDB: 1SFT) was used to study hydration around the two AlaR active sites. AlaR is a crucial enzyme for bacterial cell wall biosynthesis. It has been shown previously that the potency of an inhibitor can be incre...

journal_title：Biopolymers

authors： Huang HC,Jupiter D,Qiu M,Briggs JM,Vanburen V

更新日期：2008-03-01 00:00:00

abstract：:We analyzed the CD and uv absorption spectra of 5S RNA from Escherichia coli using the method developed in the preceding paper. The analysis of spectra of 5S RNA at 20 degrees C in 0.1M NaClO4, 2.5 mM Na+ (phosphate), pH 7.0, and 0.5 mM MgSO4 gave 7 +/- 3.6 A.U base pairs, 25 +/- 3.6 G.C base pairs, and 7.5 +/- 3.6 G....

journal_title：Biopolymers

authors： Johnson KH,Gray DM

更新日期：1991-03-01 00:00:00

abstract：:A desire to replicate the structural and functional complexity of proteins with structured, sequence-specific oligomers motivates study of the structural features of water-soluble peptoids (N-substituted glycine oligomers). Understanding the molecular-level details of peptoid self-assembly in water is essential to adv...

journal_title：Biopolymers

authors： Fuller AA,Huber J,Jimenez CJ,Dowell KM,Hough S,Ortega A,McComas KN,Kunkel J,Asuri P

更新日期：2019-04-01 00:00:00

abstract：:Myosins are a large family of molecular motors that use the common P-loop, Switch 1 and Switch 2 nucleotide binding motifs to recognize ATP, to create a catalytic site than can efficiently hydrolyze ATP and to communicate the state of the nucleotide pocket to other allosteric binding sites on myosin. The energy of ATP...

journal_title：Biopolymers

authors： Geeves MA

更新日期：2016-08-01 00:00:00

abstract：:Hydrophobicity has proven to be an extremely useful parameter in small molecule drug discovery programmes given that it can be used as a predictive tool to enable rational design. For larger molecules, including peptoids, where folding is possible, the situation is more complicated and the average hydrophobicity (as d...

journal_title：Biopolymers

authors： Bolt HL,Williams CEJ,Brooks RV,Zuckermann RN,Cobb SL,Bromley EHC

更新日期：2017-07-01 00:00:00

abstract：:The RNA recognition motif (RRM) is one of the most common RNA binding domains. We have investigated the contribution of three highly conserved aromatic amino acids to RNA binding by the N-terminal RRM of the U1A protein. Recently, we synthesized a modified base (A-4CPh) in which a phenyl group is tethered to adenine u...

journal_title：Biopolymers

authors： Zhao Y,Kormos BL,Beveridge DL,Baranger AM

更新日期：2006-03-01 00:00:00

abstract：:Multiple, independent sites or domains behave, on chemical change, in a manner predicted by Langmuir. Distortions of this behavior have been attributed to interactions between the domains, which vary with the progress of the changes occurring at the sites or domains. The two main models for nearest neighbor interactio...

journal_title：Biopolymers

authors： Saroff HA,Kiefer JE

更新日期：1999-05-01 00:00:00

abstract：:A series of cyclic retro-inverso dipeptides--2-[(4-hydroxy)benzyl]-5-benzyl-4,6(1H,2H,3H,5H)-pyrimidinedi one (c[mPhe-gTyr]), 2-benzyl-5-[(4-hydroxy)benzyl]-4,6(1H,2H,3H,5H)-pyrimidinedione (c[mTyr-gPhe]), and 2-benzyl-5-amino-5-[(4-hydroxy)benzyl]-4,6(1H,2H,3H,5H)-pyrimidinedione (c[(alpha-amino)mTyr-gPhe])--were syn...

journal_title：Biopolymers

authors： Nunami K,Yamazaki T,Goodman M

更新日期：1991-11-01 00:00:00

abstract：:Despite the positive results observed in vitro and in vivo, clinical trials with bioactive peptides are generally hampered by their fast degradation in the biological system. Two bioactive peptides, P20 (CSSRTMHHC) and the combined peptide C (CVNHPAFACGYGHTMYYHHYQHHL) have been identified as anticancer therapeutics. C...

journal_title：Biopolymers

authors： Arruda DC,de Oliveira TD,Cursino PHF,Maia VSC,Berzaghi R,Travassos LR,Tada DB

更新日期：2017-09-01 00:00:00

abstract：:In the present paper we describe the synthesis, purification, and single crystal x-ray analysis of the cyclic pentapeptide cyclo-(Pro-Phe-Phe-beta-Ala-beta-Ala). This compound crystallizes in the orthorhombic space group P2I2I2I from methanol and adopts in the solid state an unusual conformation characterized by a cis...

journal_title：Biopolymers

authors： Lombardi A,Saviano M,Nastri F,Maglio O,Mazzeo M,Pedone C,Isernia C,Pavone V

更新日期：1996-06-01 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