Computational evaluation of modified peptides from human neutrophil peptide 1 (HNP-1).

abstract：:Enumerating procedure for symbol sequences is proposed. Relationship between Hamming distance for symbol sequences and Euclidean distance for corresponding enumerations is established, and more universal Hamming-transformed Euclidean measure is constructed. A distribution function of amino acid substitutions and some ...

journal_title：Journal of biomolecular structure & dynamics

authors： Shchelkanov MYu,Yudin AN,Antonov AV,Starikov NS,Vedenov AA,Karamov EV

更新日期：1997-10-01 00:00:00

abstract：:A simplified multidimensional search was applied to determine the structure of deoxyhexamer CGCGCG in the crystal form belonging to the space group C222(1) (a = 45.6 A, b = 37.3 A, c = 70.3 A). This crystal form contains two Z-DNA duplexes per asymmetric unit in a similar orientation. The search consists of several ma...

journal_title：Journal of biomolecular structure & dynamics

authors： Strokopytov BV,Malinina LV

更新日期：1994-04-01 00:00:00

abstract：:By reaction of 1,2-diaminocyclohexane with the 2,3-butanedione monoxime in the presence of ZnCl2, a new Schiff base complex was obtained. This complex was characterized by elemental analyses, FT-IR, 1H NMR, UV-Vis, and conductivity measurements. The reactivity of this complex to human serum albumin (HSA) under simulat...

journal_title：Journal of biomolecular structure & dynamics

authors： Shahraki S,Shiri F,Saeidifar M

更新日期：2018-05-01 00:00:00

abstract：:A complete three dimensional model (RCSB000408; PDB code 1qaa) for the LexA repressor dimer bound to the recA operator site consistent with relevant biochemical and biophysical data for the repressor is proposed. A model of interaction of the N-terminal operator binding domain 1-72 with the operator was available. We ...

journal_title：Journal of biomolecular structure & dynamics

authors： Chattopadhyaya R,Ghosh K,Namboodiri VM

更新日期：2000-10-01 00:00:00

abstract：:Cardiovascular diseases are the world's leading cause of death. Hypertension is an important risk factor for cardiovascular and renal diseases. Angiotensin-converting enzyme (ACE) can be a possible therapeutic target for managing angiotensin I conversion to angiotensin II and ultimately controlling hypertension. Indol...

journal_title：Journal of biomolecular structure & dynamics

authors： Sahin K

更新日期：2020-10-05 00:00:00

abstract：:Temporal order ("chronology") of appearance of amino acids and their respective codons on evolutionary scene is reconstructed. A consensus chronology of amino acids is built on the basis of 60 different criteria each offering certain temporal order. After several steps of filtering the chronology vectors are averaged ...

journal_title：Journal of biomolecular structure & dynamics

authors： Trifonov EN

更新日期：2004-08-01 00:00:00

abstract：:Communicated by Ramaswamy H. Sarma. ...

journal_title：Journal of biomolecular structure & dynamics

authors： Ganjoo A,Tripathi A,Chetti P

更新日期：2020-10-01 00:00:00

abstract：:Melanoma is a malignant cancer of the skin associated with a high mortality. Early medical diagnosis and surgical intervention are essential for the treatment of melanoma. The use of plant-based compounds is an important strategy for the prevention and treatment of different types of cancers. Curcumin is a promising n...

journal_title：Journal of biomolecular structure & dynamics

authors： Ghazaeian M,Khorsandi K,Hosseinzadeh R,Naderi A,Abrahamse H

更新日期：2020-08-07 00:00:00

abstract：:A stably-bound external binding site for ethidium cation in the major groove of B-form DNA is proposed. This complex is stabilized by hydrogen bonding between this ligand and the nucleophilic centers O6 and N7 of guanine, both of which are accessible via the major groove. This binding site is not the same as the well-...

journal_title：Journal of biomolecular structure & dynamics

authors： Monaco RR

更新日期：2007-10-01 00:00:00

abstract：:Elicitins, produced by most of the phytopathogenic fungi of the genus Phytophthora, provoke in the tobacco plant both remote leaf necrosis and the induction of a resistance against subsequent attack by various micro-organisms. The crystal structure of b-cryptogein (CRY), secreted by Phytophthora cryptogea, was previou...

journal_title：Journal of biomolecular structure & dynamics

authors： Demaret S,Demaret JP,Brunie S

更新日期：2000-12-01 00:00:00

abstract：:The preferred conformation of orexin-B, an orphan G-protein coupled receptor agonist (the human sequence is RSGPPGLQGRLQRLLQASGNHAAGILTM-NH(2)) has been determined by (1)H and (13)C 2D NMR spectroscopy and molecular modeling. Orexin-B has been implicated in sleep-wakefulness and feeding regulation. The membrane mimeti...

journal_title：Journal of biomolecular structure & dynamics

authors： Miskolzie M,Lucyk S,Kotovych G

更新日期：2003-12-01 00:00:00

abstract：:The first fully energy-minimized structures for a series of structurally related metal complexes of the important mammalian metal binding protein metallothionein are described. The structures were calculated based on structural information obtained from existing spectroscopic and crystallographic data, and minimized u...

journal_title：Journal of biomolecular structure & dynamics

authors： Fowle DA,Stillman MJ

更新日期：1997-02-01 00:00:00

abstract：:Flavonoids correspond to a major class of polyphenolic phytochemicals with flavone as major parent scaffold. This class of compounds is attributed with very rich nutritional as well as therapeutic values. The present study focuses on a panel of 16 flavonoid molecules that are demonstrated to exhibit various bioactivit...

journal_title：Journal of biomolecular structure & dynamics

authors： Meshram RJ,Bagul KT,Pawnikar SP,Barage SH,Kolte BS,Gacche RN

更新日期：2020-03-01 00:00:00

abstract：:Trypanothione reductase has long been investigated as a promising target for chemotherapeutic intervention in Chagas disease, since it is an enzyme of a unique metabolic pathway that is exclusively present in the pathogen but not in the human host, which has the analog Glutathione reductase. In spite of the present da...

journal_title：Journal of biomolecular structure & dynamics

authors： de Paula da Silva CH,Bernardes LS,da Silva VB,Zani CL,Carvalho I

更新日期：2012-01-01 00:00:00

abstract：:The adsorption behavior of Anastrozole (ANA) and Melphalan (MEL) anticancer drugs on the surface of silicene nanosheet (SNS) and functionalized SNS with folic acid (FA-SNS) is investigated and compared using the density functional theory (DFT) and molecular dynamics (MD) simulation. The DFT calculation is performed at...

journal_title：Journal of biomolecular structure & dynamics

authors： Razavi L,Raissi H,Hashemzadeh H,Farzad F

更新日期：2020-06-05 00:00:00

abstract：:A protein with the reversed direction of its polypeptide chain, retro-SHH, was analyzed by several spectroscopic techniques including circular dichroism and high-resolution NMR to understand its solution structure and structural consequences of interaction with the micelles formed by the zwitterionic detergent dodecyl...

journal_title：Journal of biomolecular structure & dynamics

authors： Kutyshenko VP,Prokhorov DA,Molochkov NV,Sharapov MG,Kolesnikov I,Uversky VN

更新日期：2014-01-01 00:00:00

abstract：:We would be tempted to state that there has never been a Levinthal paradox. Indeed, Levinthal raised an interesting problem about protein folding, as he realized that proteins have no time to explore exhaustively their conformational space on the way to their native structure. He did not seem to find this paradoxical ...

journal_title：Journal of biomolecular structure & dynamics

authors： Rooman M,Dehouck Y,Kwasigroch JM,Biot C,Gilis D

更新日期：2002-12-01 00:00:00

abstract：:Under negative superhelical stress, long (TG)n containing repeats experience a stepwise multiple B-Z transitions. We have investigated the effect of the plasmid size on this transitional behavior. A 66-bp (TG)n containing repeat from the 5'-untranscribed region of mouse ribosomal DNA was inserted in a 3-kb, a 6.5-kb a...

journal_title：Journal of biomolecular structure & dynamics

authors： Albert AC,Leng M,Rahmouni AR

更新日期：1995-08-01 00:00:00

abstract：:This article describes, for the first time, the effect of three different sizes of silver nanoparticles on the binding of curcumin to lysozyme as examined by spectroscopic and zeta potential techniques at physiological conditions. The binding constants of curcumin to lysozyme in the presence of silver nanoparticles we...

journal_title：Journal of biomolecular structure & dynamics

authors： Kamshad M,Jahanshah Talab M,Beigoli S,Sharifirad A,Chamani J

更新日期：2019-05-01 00:00:00

abstract：:Hinge-bending in T4 lysozyme has been inferred from single amino acid mutant crystalline allomorphs by Matthews and coworkers. This raises an important question: are the different conformers in the unit cell artifacts of crystal packing forces, or do they represent different solution state structures? The objective of...

journal_title：Journal of biomolecular structure & dynamics

authors： Arnold GE,Manchester JI,Townsend BD,Ornstein RL

更新日期：1994-10-01 00:00:00

abstract：:Chlamydia trachomatis (C.t) is a Gram-negative obligate intracellular bacteria and is a major causative of infectious blindness and sexually transmitted diseases. Among the varied serovars of this organism, A, B and C are reported as prominent ocular pathogens. Genomic studies of these strains shall aid in deciphering...

journal_title：Journal of biomolecular structure & dynamics

authors： Sadhasivam A,Vetrivel U

更新日期：2018-06-01 00:00:00

abstract：:Transcription factor NAM-B1 has a major role in the process of senescence, which results in higher Fe and Zn concentrations in grains of wild wheat (T. durum; Td). The absence of the wild type NAMB1 in T. aestivum (Ta), one of the cardinal crops essential for more than 1/3rd of the global population, affects Fe and Zn...

journal_title：Journal of biomolecular structure & dynamics

authors： Kaul T,Eswaran M,Ahmad S,Thangaraj A,Jain R,Kaul R,Raman NM,Bharti J

更新日期：2020-08-01 00:00:00

abstract：:For almost 50 years the conclusive explanation of Chargaff's second parity rule (CSPR), the equality of frequencies of nucleotides A=T and C=G or the equality of direct and reverse complement trinucleotides in the same DNA strand, has not been determined yet. Here, we relate CSPR to the interstrand mirror symmetry in ...

journal_title：Journal of biomolecular structure & dynamics

authors： Rosandić M,Vlahović I,Glunčić M,Paar V

更新日期：2016-07-01 00:00:00

abstract：:A mononuclear cadmium(II) complex of formula [Cd(5,5'-dmbipy)2(OAc)2]·2H2O (5,5'-dmbipy = 5,5'-dimethyl-2,2'-bipyridine and OAc = acetato ligand) has been synthesized and characterized by FT-IR, UV-Vis, 1H-NMR, elemental analysis and single-crystal X-ray structure analysis. The molecular structure of the complex shows...

journal_title：Journal of biomolecular structure & dynamics

authors： Kondori T,Akbarzadeh-T N,Abdi K,Dušek M,Eigner V

更新日期：2020-01-01 00:00:00

abstract：:The technique of transient electric birefringence was used to investigate the orientation of agarose solutions in pulsed electric fields. If the agarose was dissolved in deionized water, the sign of the birefringence was positive when the electric field was small, indicating that the agarose molecules were orienting p...

journal_title：Journal of biomolecular structure & dynamics

authors： Stellwagen NC,Stellwagen D

更新日期：1990-12-01 00:00:00

abstract：:A useful property of DMSO solvent has been exploited to reveal a new catalytic route for cytidine amino proton exchange, relevant to exchange in the macromolecular state, but hidden in aqueous solution. Additional exchange mechanisms in aqueous monomeric cytidine (and adenosine) are obscured by the formation of a fast...

journal_title：Journal of biomolecular structure & dynamics

authors： McConnell B

更新日期：1986-12-01 00:00:00

abstract：:Noonan syndrome (NS) is a common autosomal dominant congenital disorder which could cause the congenital cardiopathy and cancer predisposition. Previous studies reported that the knock-in mouse models of the mutant D61G of SHP2 exhibited the major features of NS, which demonstrated that the mutation D61G of SHP2 could...

journal_title：Journal of biomolecular structure & dynamics

authors： Li HL,Ma Y,Zheng CJ,Jin WY,Liu WS,Wang RL

更新日期：2018-11-01 00:00:00

abstract：:Cancer, being among the most serious diseases, causes many deaths every year. Many investigators have devoted themselves to designing effective treatments for this disease. Cancer always involves abnormal cell growth with the potential to invade or spread to other parts of the body. In contrast, tumor suppressor genes...

journal_title：Journal of biomolecular structure & dynamics

authors： Chen L,Yang J,Huang T,Kong X,Lu L,Cai YD

更新日期：2016-01-01 00:00:00

abstract：:Communicated by Ramaswamy H. Sarma. ...

journal_title：Journal of biomolecular structure & dynamics

authors： Dubey S,Kallubai M,Subramanyam R

更新日期：2020-10-01 00:00:00

abstract：:An important regulatory domain of NF-[Formula: see text]B Essential Modulator (NEMO) is a ubiquitin-binding zinc finger, with a tetrahedral CYS3HIS1 zinc-coordinating binding site. Two variations of NEMO's zinc finger are implicated in various disease states including ectodermal dysplasia and adult-onset glaucoma. To ...

journal_title：Journal of biomolecular structure & dynamics

authors： Godwin RC,Gmeiner WH,Salsbury FR Jr

更新日期：2018-08-01 00:00:00