Protein-solvent hydrogen bonding studied by NMR 1JNC' coupling constant determination and molecular dynamics simulations

被引：0
|
作者：
机构：
来源：
J Am Chem Soc | / 33卷 / 7859期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 45 条
  • [21] Studies on the Structures and Hydrogen-bonding Interactions in Aqueous Glycine Solutions Using All-atom Molecular Dynamics Simulations and NMR Spectroscopy
    张荣
    陈文荣
    曾威
    吴文娟
    结构化学, 2014, 33 (01) : 49 - 56
  • [22] Studies on the Structures and Hydrogen-bonding Interactions in Aqueous Glycine Solutions Using All-atom Molecular Dynamics Simulations and NMR Spectroscopy
    Zhang Rong
    Chen Wen-Rong
    Zeng Wei
    Wu Wen-Juan
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2014, 33 (01) : 49 - 56
  • [23] SOLVENT-DEPENDENT CONFORMATION AND HYDROGEN-BONDING CAPACITY OF CYCLOSPORINE-A - EVIDENCE FROM PARTITION-COEFFICIENTS AND MOLECULAR-DYNAMICS SIMULATIONS
    ELTAYAR, N
    MARK, AE
    VALLAT, P
    BRUNNE, RM
    TESTA, B
    VANGUNSTEREN, WF
    JOURNAL OF MEDICINAL CHEMISTRY, 1993, 36 (24) : 3757 - 3764
  • [24] pKa Determination of Histidine Residues in α-Conotoxin MII Peptides by 1H NMR and Constant pH Molecular Dynamics Simulation
    McDougal, Owen M.
    Granum, David M.
    Swartz, Mark
    Rohleder, Conrad
    Maupin, C. Mark
    JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 117 (09): : 2653 - 2661
  • [25] Large-Scale Analysis of 48 DNA and 48 RNA Tetranucleotides Studied by 1 μs Explicit-Solvent Molecular Dynamics Simulations
    Schrodt, Michael V.
    Andrews, Casey T.
    Elcock, Adrian H.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (12) : 5906 - 5917
  • [26] Solid-state NMR and molecular dynamics simulations reveal the oligomeric ion-channels of TM2-GABAA stabilized by intermolecular hydrogen bonding
    Kandasamy, Senthil K.
    Lee, Dong-Kuk
    Nanga, Ravi P. R.
    Xu, Jiadi
    Santos, Jose S.
    Larson, Ronald G.
    Ramamoorthy, Ayyalusamy
    BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, 2009, 1788 (03): : 686 - 695
  • [27] Motional properties of α-(1-4) and α-(1-6) linkages as studied by carbon-13 NMR relaxation and molecular dynamics computer simulations.
    Naidoo, KJ
    Best, RB
    Jackson, GE
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U111 - U111
  • [28] Molecular Conformation and Bilayer Pores in a Nonionic Surfactant Lamellar Phase Studied with 1H-13C Solid-State NMR and Molecular Dynamics Simulations
    Ferreira, Tiago M.
    Topgaard, Daniel
    Ollila, O. H. Samuli
    LANGMUIR, 2014, 30 (02) : 461 - 469
  • [29] Unambiguous Determination of Intermolecular Hydrogen Bond of NMR Structure by Molecular Dynamics Refinement Using All-Atom Force Field and Implicit Solvent Model
    Jee, JunGoo
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2010, 31 (09) : 2717 - 2720
  • [30] THE USE OF MOLECULAR-DYNAMICS SIMULATIONS WITH AB-INITIO SCF CALCULATIONS FOR THE DETERMINATION OF THE O-17 QUADRUPOLE COUPLING-CONSTANT IN LIQUID WATER
    EGGENBERGER, R
    GERBER, S
    HUBER, H
    SEARLES, D
    WELKER, M
    MOLECULAR PHYSICS, 1993, 80 (05) : 1177 - 1182
12345