Related references
Note: Only part of the references are listed.Amide-I Characteristics of Helical β-Peptides by Linear Infrared Measurement and Computations
Juan Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Molecular mechanics force field-based general map for the solvation effect on amide I probe of peptide in different micro-environments
Kaicong Cai et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2014)
Exploring the Mechanism of IR-UV Double-Resonance for Quantitative Spectroscopy of Protonated Polypeptides and Proteins
Natalia S. Nagornova et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Electrostatic frequency shifts in amide I vibrational spectra: Direct parameterization against experiment
Mike Reppert et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Infrared, Vibrational Circular Dichroism, and Raman Spectral Simulations for β-Sheet Structures with Various Isotopic Labels, Interstrand, and Stacking Arrangements Using Density Functional Theory
William R. W. Welch et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Ultrafast Structural Dynamics Inside Planar Phospholipid Multibilayer Model Cell Membranes Measured with 2D IR Spectroscopy
Oksana Kel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Single-conformation infrared spectra of model peptides in the amide I and amide II regions: Experiment-based determination of local mode frequencies and inter-mode coupling
Evan G. Buchanan et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Modeling the amide I bands of small peptides (vol 125, 044312, 2006)
Thomas la Cour Jansen et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Thermally Induced Protein Unfolding Probed by Isotope-Edited IR Spectroscopy
Lu Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2012)
Parallel β-Sheet Vibrational Couplings Revealed by 2D IR Spectroscopy of an Isotopically Labeled Macrocycle: Quantitative Benchmark for the Interpretation of Amyloid and Protein Infrared Spectra
Ann Marie Woys et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Two-dimensional IR spectroscopy and segmental 13C labeling reveals the domain structure of human γD-crystallin amyloid fibrils
Sean D. Moran et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Single-conformation spectroscopy and population analysis of model gamma-peptides: New tests of amide stacking
Evan G. Buchanan et al.
FARADAY DISCUSSIONS (2011)
Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline
Santanu Roy et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Development and Validation of Transferable Amide I Vibrational Frequency Maps for Peptides
L. Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
2DIR Spectroscopy of Human Amylin Fibrils Reflects Stable β-Sheet Structure
Lu Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
On the origin of IR spectral changes upon protein folding
Isabella Daidone et al.
CHEMICAL PHYSICS LETTERS (2010)
Comparative Study of Electrostatic Models for the Amide-I and -II Modes: Linear and Two-Dimensional Infrared Spectra
Hiroaki Maekawa et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Amide-I and -II Vibrations of the Cyclic β-Sheet Model Peptide Gramicidin S in the Gas Phase
Peter Kupser et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Conformations and vibrational spectra of a model tripeptide: change of secondary structure upon micro-solvation
Hui Zhu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
A new tandem mass spectrometer for photofragment spectroscopy of cold, gas-phase molecular ions
Annette Svendsen et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2010)
Computational Vibrational Spectroscopy of Peptides and Proteins in One and Two Dimensions
Jonggu Jeon et al.
ACCOUNTS OF CHEMICAL RESEARCH (2009)
Calculations of intermode coupling constants and simulations of amide I, II, and III vibrational spectra of dipeptides
Jun-Ho Choi et al.
CHEMICAL PHYSICS (2009)
Direct calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: Quantum mechanical/molecular mechanical molecular dynamics simulations
Seongeun Yang et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Empirical Amide I Vibrational Frequency Map: Application to 2D-IR Line Shapes for Isotope-Edited Membrane Peptide Bundles
Y. -S. Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Molecular mechanics force field-based map for peptide amide-I mode in solution and its application to alanine di- and tripeptides
Kaicong Cai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Spectroscopy and conformational preferences of gas-phase helices
Jaime A. Stearns et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
A density functional theory study of vibrational coupling in the amide I band of β-sheet models
Raji Viswanathan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
An evaluation of harmonic vibrational frequency scale factors
Jeffrey P. Merrick et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Spectroscopic signatures of gas-phase helices:: Ac-Phe-(Ala)5-Lys-H+ and Ac-Phe-(Ala)10-Lys-H+
Jaime A. Stearns et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Cross-strand coupling of a β-hairpin peptide stabilized with an Aib-Gly turn studied using isotope-edited IR Spectroscopy
Rong Huang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Ab initio based building block model of amide I vibrations in peptides
Roman D. Gorbunov et al.
CHEMICAL PHYSICS LETTERS (2007)
Amide I two-dimensional infrared spectroscopy of β-hairpin peptides
Adam W. Smith et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Structural disorder of the CD3ξ transmembrane domain studied with 2D IR spectroscopy and molecular dynamics simulations
Prabuddha Mukherjee et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Contribution of transition dipole coupling to amide coupling in IR spectra of peptide secondary structures
Jan Kubelka et al.
VIBRATIONAL SPECTROSCOPY (2006)
Modeling the amide I bands of small peptides
Thomas la Cour Jansen et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Mid-infrared spectroscopy of protected peptides in the gas phase: A probe of the backbone conformation
I Compagnon et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Picosecond dynamics of a membrane protein revealed by 2D IR
P Mukherjee et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)
Simulation protocols for coherent femtosecond vibrational spectra of peptides
W Zhuang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
A transferable electrostatic map for solvation effects on amide I vibrations and its application to linear and two-dimensional spectroscopy
TL Jansen et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Electrostatic DFT map for the complete vibrational amide band of NMA
T Hayashi et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Two-dimensional infrared spectra of the 13C=18O isotopomers of alanine residues in an α-helix
C Fang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Infrared spectroscopy of N-methylacetamide revisited by ab initio molecular dynamics simulations
MP Gaigeot et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Ab initio modeling of amide I coupling in antiparallel β-Sheets and the effect of 13C isotopic labeling on infrared spectra
P Bour et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Nature of vibrational coupling in helical peptides: An isotopic labeling study
R Huang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Local amide I mode frequencies and coupling constants in multiple-stranded antiparallel β-sheet polypeptides
C Lee et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Two-dimensional infrared spectroscopy of isotopomers of an alanine rich α-helix
C Fang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Ultrafast vibrational spectroscopy of water and aqueous N-methylacetamide:: Comparison of different electronic structure/molecular dynamics approaches
JR Schmidt et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
C Oostenbrink et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Two-dimensional infrared measurements of the coupling between amide modes of an α-helix
C Fang et al.
CHEMICAL PHYSICS LETTERS (2003)
Empirical modeling of the peptide amide I band IR intensity in water solution
P Bour et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Local amide I mode frequencies and coupling constants in polypeptides
JH Choi et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Molecular dynamics simulation study of N-methylacetamide in water.: I.: Amide I mode frequency fluctuation
K Kwac et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Optimized slater-type basis sets for the elements 1-118
E Van Lenthe et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Amide I modes of tripeptides: Hessian matrix reconstruction and isotope effects
S Ham et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Conformational dynamics of trialanine in water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments
YG Mu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Correlation between electronic and molecular structure distortions and vibrational properties.: II.: Amide I modes of NMA-nD2O complexes
S Ham et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Inter-peptide interaction and delocalization of amide I vibrational excitons in myoglobin and flavodoxin
JH Choi et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Coupling of the amide I modes of the glycine dipeptide
P Hamm et al.
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2002)
Use of a new label 13C=18O in the determination of a structural model of phospholamban in a lipid bilayer.: Spatial restraints resolve the ambiguity arising from interpretations of mutagenesis data
J Torres et al.
JOURNAL OF MOLECULAR BIOLOGY (2000)
Share Paper
