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  • Artikel: DFG Deutsche Nationallizenzen  (6)
  • Digitale Medien  (6)
  • Electrostatic potential  (3)
  • computer simulation  (2)
  • Key words: Ramachandran map – Protein structure – Molecular modeling – Conformational analysis  (1)
Datenquelle
  • Artikel: DFG Deutsche Nationallizenzen  (6)
Materialart
  • Digitale Medien  (6)
Erscheinungszeitraum
Schlagwörter
  • 1
    Digitale Medien
    Digitale Medien
    The electrostatic molecular potential of yeast tRNAPhe. III. The molecular potential and the steric acessibility associated with the phosphate groups (1980)
    Springer
    Theoretical chemistry accounts 57 (1980), S. 233-243 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Electrostatic potential ; Steric accessibility ; Phosphate groups ; tRNA
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The molecular electrostatic potential of yeast tRNAPhe is calculated at sites bridging the anionic oxygens of each of the 76 phosphate groups of the molecule. A quantitative measure of the steric accessibility of the anionic oxygens of the phosphates toward a spherical cation is presented. Both the resulting potentials and accessibilities are discussed in terms of the molecular and electronic structure of tRNA.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00554104
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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    Artikel (Nationallizenzen)
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  • 2
    Digitale Medien
    Digitale Medien
    The effect of screening the electrostatic potentials of reactive sites within B-DNA by metal cations (1980)
    Springer
    Theoretical chemistry accounts 57 (1980), S. 323-327 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Screening of DNA ; Magnesium ions ; Electrostatic potential
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The effect of screening the backbone phosphates by Mg2+ ions, in various ways, on the negative electrostatic potential minima associated with the nucleic acid bases in B-DNA is investigated. The results are compared to screening by Na+ ions and to the corresponding potential minima in unscreened B-DNA.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00552744
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    Artikel (Nationallizenzen)
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  • 3
    Digitale Medien
    Digitale Medien
    The electrostatic field of B-DNA (1982)
    Springer
    Theoretical chemistry accounts 62 (1982), S. 93-106 
    Details
    ISSN: 1432-2234
    Schlagwort(e): B-DNA ; Electrostatic potential ; Electrostatic field
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract The electrostatic field associated with one complete turn of B-DNA is presented. Two base sequences poly (dG) · poly (dC) and poly (dA) · poly (dT) are studied and the effects of sodium counterions bound to the nucleic acid are investigated. The contrasts between the electrostatic potential and the electrostatic field of the macromolecules are discussed and the possible applications of the field are considered.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00581476
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  • 4
    Digitale Medien
    Digitale Medien
    Modelling of transmembrane α-helix bundles (1995)
    Springer
    Molecular engineering 5 (1995), S. 1-9 
    Details
    ISSN: 1572-8951
    Schlagwort(e): Protein structure ; computer simulation ; membrane
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract A strategy for modelling transmembrane α-helix bundles has been investigated. Results concerning the rotational orientations of the helices are described and perspectives for extensions of the method are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00999574
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  • 5
    Digitale Medien
    Digitale Medien
    Perspective on “Stereochemistry of polypeptide chain conformations” (2000)
    Springer
    Theoretical chemistry accounts 103 (2000), S. 257-258 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Key words: Ramachandran map – Protein structure – Molecular modeling – Conformational analysis
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract. Despite its apparent simplicity the “Ramachandran map” has been an enormously successful tool for describing and understanding protein structure. Thirty-five years after its invention, it is still used daily for checking the quality of experimental and modeled protein structures. It is, moreover, founded on a rational, reduced-coordinate model of the polypeptide chain which continues to be useful in computational attempts at predicting protein folding.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/s002149900022
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  • 6
    Digitale Medien
    Digitale Medien
    Packing and recognition of protein structural elements: A new approach applied to the 4-helix bundle of myohemerythrin (1993)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 15 (1993), S. 413-425 
    Details
    ISSN: 0887-3585
    Schlagwort(e): computer simulation ; side chain conformations ; optimization ; α-helices ; tertiary structure ; Chemistry ; Biochemistry and Biotechnology
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Medizin
    Notizen: We present a novel search strategy for determining the optimal packing of protein secondary structure elements. The approach is based on conformational energy optimization using a predetermined set of side chain rotamers and appropriate methods for sampling the conformational space of peptide fragments having fixed backbone geometries. An application to the 4-helix bundle of myohemerythrin is presented. It is shown that the conformations of the amino acid side chains are largely determined at the level of helix pairs and that superposition of these results can be used to construct the full bundle. The final solution obtained, taking into account restrictions due to the lateral amphiphilicity of the helices, differs from the native structure by only a 20° rotation of a single helix. © 1993 Wiley-Liss, Inc.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/prot.340150408
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