COMPUTATIONAL DESCRIPTION OF PEPTIDE ARCHITECTURES BASED ON HYDROGEN BONDS

被引:0
|
作者
Silaghi-Dumitrescu, Radu [1 ]
机构
[1] Univ Babes Bolyai, Fac Chim & Ingn Chim, RO-400084 Cluj Napoca, Romania
来源
关键词
peptide; density functional; semiempirical; Hartree-Fock; hydrogen bond; IRON-SULFUR CLUSTERS; TRANSITION-METAL SYSTEMS; NMR-SPECTROSCOPY; REDOX PROPERTIES; PROTEIN; RUBREDOXIN;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The geometrical structures of systems whose architectures rely entirely on hydrogen bonds, such as a-helical polypeptides, are not always properly described with current computational methods.
引用
收藏
页码:31 / 36
页数:6
相关论文
共 50 条
  • [1] Computational modeling of polymer with hydrogen bonds
    Engineering Analysis and Simulation Center, Asahi Kasei Corporation Senior R and D, Japan
    Kobunshi, 2 (91-93):
  • [2] Computational/experimental symbiosis in the design of supramolecular peptide architectures
    Sasselli, Ivan
    JOURNAL OF PEPTIDE SCIENCE, 2024, 30
  • [3] How strong are hydrogen bonds in the peptide model?
    Dabrowski, Jakub
    Nowak, Wieslaw
    Ptak, Arkadiusz
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (03) : 1392 - 1399
  • [4] In search of the energetic role of peptide hydrogen bonds
    Baldwin, RL
    JOURNAL OF BIOLOGICAL CHEMISTRY, 2003, 278 (20) : 17581 - 17588
  • [5] The use of hydrogen bonds to control peptide structure
    Steffel, Lauren R.
    Linton, Brian R.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2007, 233 : 456 - 456
  • [6] Relation between peptide backbone solvation and the energetics of peptide hydrogen bonds
    Baldwin, RL
    BIOPHYSICAL CHEMISTRY, 2002, 101 : 203 - 210
  • [7] Hydrogen Bonds and Heat Diffusion in α-Helices: A Computational Study
    Mino, German
    Barriga, Raul
    Gutierrez, Gonzalo
    JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (34): : 10025 - 10034
  • [8] A computational study of strong, anionic hydrogen bonds.
    Stevens, WJ
    Gilson, HS
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 200 - COMP
  • [9] Computational screening and design rationale for piezoelectric hydrogen bonds
    Werling, Keith A.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [10] Computational Architectures Based on Coupled Oscillators
    Cotter, Matthew
    Fang, Yan
    Levitan, Steven P.
    Chiarulli, Donald M.
    Narayanan, Vijaykrishnan
    2014 IEEE COMPUTER SOCIETY ANNUAL SYMPOSIUM ON VLSI (ISVLSI), 2014, : 131 - 136