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84
Knowledge-based protein secondary structure assignment
- Proteins
, 1995
"... ABSTRACT We have developed an auto-matic algorithm STRIDE for protein secondary structure assignment from atomic coordinates based on the combined use of hydrogen bond energy and statistically derived backbone tor-sional angle information. Parameters of the pattern recognition procedure were optimiz ..."
Abstract
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Cited by 324 (2 self)
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. Q 1995 Wiley-Liss, Inc. Key words: protein structure analysis, hydro-gen bond, torsional angle, a-helix, p-sheet
t s n
"... carbon surface chemistry on the character of adsorption isotherms, which change from Type III for the base N330 (and for a graphitized s strong specific interactions may take place through hydro-gen bonding between polar, or polarizable, molecules and y e s, ..."
Abstract
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carbon surface chemistry on the character of adsorption isotherms, which change from Type III for the base N330 (and for a graphitized s strong specific interactions may take place through hydro-gen bonding between polar, or polarizable, molecules and y e s,
An intersubunit hydrogen bond in the nicotinic acetylcholine receptor that contributes to channel gating
- J. Biol. Chem
, 2008
"... The muscle nicotinic acetylcholine receptor is a large, allo-steric, ligand-gated ion channel with the subunit composition 2. Althoughmuch is now known about the structure of the binding site, relatively little is understood about how the bind-ing event is communicated to the channel gate, causing t ..."
Abstract
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Cited by 5 (1 self)
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of the complementary subunit upon agonist binding. However, the anionic partner is not the glutamate predicted by the crystal structures of the homologous acetylcholine-binding protein. Instead, the hydro-gen-bonding partner is the extensively researched aspartate Asp-174/Asp-180, which had originally been identified
PROTEINS Structure, Function, and Genetics 12:324-330 (1992) Helix Packing of Leucine-Rich Peptides: A Parallel Leucine Ladder in the Structure of Boc- Aib-Leu- Aib- Aib-Leu-Leu-Leu- Aib-Leu- Aib-OMe
"... ABSTRACT The packing of peptide heli-ces in crystals of the leucine-rich decapeptide Boc-AibLeu- Aib AibLeu-Leu-Leu- AibLeu-Aib-OMe provides an example of ladder-like leucyl-leucyl interactions between neighboring mole-cules. The peptide molecule forms a helix with five 5+l hydrogen bonds and two 4+ ..."
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+1 hydro-gen bonds near the C terminus. Three head-to-tail NH--- 0 = C hydrogen bonds between helices form continuous columns of helices in the crystal. The helicial columns associate in an antiparallel fashion, except for the association of Leu- * Leu side chains, which occurs along the diagonal
Communication The Relative Hydrogen Bonding Strength of Oxygen and Nitrogen Atoms as a Proton Acceptor
, 1998
"... The thermodynamic parameters for the formation of the hydrogen bonding were widely used to understand the pro-tein-ligand interaction.1~3 We have been interested in the hydro-gen bonding strength of various proton acceptors toward the amide in a nonpolar solvent.1,2 This work is in the line of our i ..."
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The thermodynamic parameters for the formation of the hydrogen bonding were widely used to understand the pro-tein-ligand interaction.1~3 We have been interested in the hydro-gen bonding strength of various proton acceptors toward the amide in a nonpolar solvent.1,2 This work is in the line of our
Water dynamics: Relation between hydrogen bond bifurcations, molecular jumps, local density & hydrophobicity
- Sci. Rep
, 2013
"... Structure and dynamics of water remain a challenge. Resolving the properties of hydro-gen bonding lies at the heart of this puzzle. Here we employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total simulation time was ≈ 2 ns. Both bulk water and water in the pre ..."
Abstract
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Cited by 2 (0 self)
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Structure and dynamics of water remain a challenge. Resolving the properties of hydro-gen bonding lies at the heart of this puzzle. Here we employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total simulation time was ≈ 2 ns. Both bulk water and water
RESEARCH ARTICLE In Vitro and In Vivo Toxicity Profiling of Ammonium-Based Deep Eutectic Solvents
"... The cytotoxic potential of ammonium-based deep eutectic solvents (DESs) with four hydro-gen bond donors, namely glycerine (Gl), ethylene glycol (EG), triethylene glycol (TEG) and urea (U) were investigated. The toxicity of DESs was examined using In Vitro cell lines and In Vivo animal model. IC50 an ..."
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The cytotoxic potential of ammonium-based deep eutectic solvents (DESs) with four hydro-gen bond donors, namely glycerine (Gl), ethylene glycol (EG), triethylene glycol (TEG) and urea (U) were investigated. The toxicity of DESs was examined using In Vitro cell lines and In Vivo animal model. IC50
Comment
"... Hydrogen bonds often provide the strongest intermolec-ular forces between molecules in organic molecular crystals and hence often dictate the preferred packing arrangement. The general principles underlying hydro-gen-bond formation are reasonably well understood and the structures of hydrogen-bonded ..."
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Hydrogen bonds often provide the strongest intermolec-ular forces between molecules in organic molecular crystals and hence often dictate the preferred packing arrangement. The general principles underlying hydro-gen-bond formation are reasonably well understood and the structures of hydrogen-bonded
Oliveira and Vasconcellos: The Infrared Spectra of 2-Pyridone···Ammonia... Scientific paper The Infrared Spectra of 2-Pyridone···Ammonia and 2-Hydroxypyridine···Ammonia Hydrogen-Bonded Complexes Interpreted by DFT Calculations and AIM Charge Densities
"... The optimized geometries and infrared spectra of the 2-pyridone···ammonia and 2-hydroxypyridine···ammonia hydro-gen-bonded complexes were examined using the B3LYP/6-311++G(d,p) level of theory. By taking into account the tau-tomerism in the 2-pyridone and 2-hydroxypyridine molecules, the ammonia fun ..."
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The optimized geometries and infrared spectra of the 2-pyridone···ammonia and 2-hydroxypyridine···ammonia hydro-gen-bonded complexes were examined using the B3LYP/6-311++G(d,p) level of theory. By taking into account the tau-tomerism in the 2-pyridone and 2-hydroxypyridine molecules, the ammonia
S. Takeda et al.: Proton Dynamics in Interactin Hydrogen Bonds in the Solid State1358 Proton Dynamics in Interacting Hydrogen Bonds in the Solid State: Proton Tunneling in the NHO Hydrogen Bonds of N,N'-Di(2-Hydroxy-1-Naphthylmethylene)-p-Phenylenediamine
"... Combination of comprehensive investigations of the spin-lattice relaxation rate of proton and low temperature 15N-CP/MAS NMR spectrum provides unique information of proton dynamics in two interacting NHO hydro-gen bonds of solid N,N'-di(2-hydroxy-1-naphthylmethylene)-p-phenylenediamine (DNP). I ..."
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Combination of comprehensive investigations of the spin-lattice relaxation rate of proton and low temperature 15N-CP/MAS NMR spectrum provides unique information of proton dynamics in two interacting NHO hydro-gen bonds of solid N,N'-di(2-hydroxy-1-naphthylmethylene)-p-phenylenediamine (DNP
Results 1 - 10
of
84
