Study of the thermal processes in molecular crystals of peptides by means of NMR crystallography

Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation

(2012) Koji Yazawa et al.   CHEMICAL COMMUNICATIONS

Complete 13C NMR Chemical Shifts Assignment for Cholesterol Crystals by Combined CP-MAS Spectral Editing and ab Initio GIPAW Calculations with Dispersion Forces

(2012) Emine Küçükbenli et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Combining Multinuclear High-Resolution Solid-State MAS NMR and Computational Methods for Resonance Assignment of Glutathione Tripeptide

(2012) Mariana Sardo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Computed and Experimental Chemical Shift Parameters for Rigid and Flexible YAF Peptides in the Solid State

(2012) Tomasz Pawlak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solid State NMR Study of Thermal Processes in Nanoassemblies Formed by Dipeptides

(2012) Magdalena Jaworska et al.   Journal of Physical Chemistry C

Role of Water in Protein Aggregation and Amyloid Polymorphism

(2011) D. Thirumalai et al.   ACCOUNTS OF CHEMICAL RESEARCH

Cucurbit[n]urils (n= 5–8): A Comprehensive Solid State Study

(2011) David Bardelang et al.   CRYSTAL GROWTH & DESIGN

Broad-band homo-nuclear correlations assisted by 1H irradiation for bio-molecules in very high magnetic field at fast and ultra-fast MAS frequencies

(2011) Bingwen Hu et al.   JOURNAL OF MAGNETIC RESONANCE

NMR crystallography of 2-acylamino-6-[1H]-pyridones: Solid-state NMR, GIPAW computational, and single crystal X-ray diffraction studies

(2011) Borys Ośmiałowski et al.   JOURNAL OF MOLECULAR STRUCTURE

The Influence of the Stereochemistry of Alanine Residue on the Solid State Conformation and Crystal Packing of Opioid Peptides Containingd-Ala orl-Ala in Message Domain – XRD and NMR Study

(2011) Katarzyna Trzeciak-Karlikowska et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids

(2011) Guangjin Hou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Broadband magnetization transfer using moderate radio-frequency fields for NMR with very high static fields and spinning speeds

(2010) Markus Weingarth et al.   CHEMICAL PHYSICS LETTERS

Recent Advances in Endomorphin Engineering

(2010) Attila Keresztes et al.   ChemMedChem

N-o-Vanillylidene-l-histidine: Experimental Charge Density Analysis of a Double Zwitterionic Amino Acid Schiff-Base Compound

(2010) Bojana M. Drašković et al.   CRYSTAL GROWTH & DESIGN

NMR Crystallography of Campho[2,3-c]pyrazole (Z′ = 6): Combining High-Resolution1H-13C Solid-State MAS NMR Spectroscopy and GIPAW Chemical-Shift Calculations

(2010) Amy L. Webber et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution1H Solid-State NMR Spectroscopy

(2010) Elodie Salager et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computation and NMR crystallography of terbutaline sulfate

(2010) Robin K. Harris et al.   MAGNETIC RESONANCE IN CHEMISTRY

Complete 1H resonance assignment of β-maltose from 1H–1H DQ-SQ CRAMPS and 1H (DQ-DUMBO)–13C SQ refocused INEPT 2D solid-state NMR spectra and first principles GIPAW calculations

(2010) Amy L. Webber et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High stability of self-assembled peptide nanowires against thermal, chemical, and proteolytic attacks

(2009) Jungki Ryu et al.   BIOTECHNOLOGY AND BIOENGINEERING

Understanding chemical shielding tensors using group theory, MO analysis, and modern density-functional theory

(2009) Cory M. Widdifield et al.   CONCEPTS IN MAGNETIC RESONANCE PART A

Directly and indirectly detected through-bond heteronuclear correlation solid-state NMR spectroscopy under fast MAS

(2009) Kanmi Mao et al.   JOURNAL OF MAGNETIC RESONANCE

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Powder NMR crystallography of thymol

(2009) Elodie Salager et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Calculation of NMR parameters in ionic solids by an improved self-consistent embedded cluster method

(2009) Johannes Weber et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Rapid Analysis of Organic Compounds by Proton-Detected Heteronuclear Correlation NMR Spectroscopy with 40 kHz Magic-Angle Spinning

(2008) Donghua H. Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

MIRROR recoupling and its application to spin diffusion under fast magic-angle spinning

(2008) Ingo Scholz et al.   CHEMICAL PHYSICS LETTERS

Improved magnetization transfer in solid-state NMR with fast magic angle spinning

(2008) Markus Weingarth et al.   CHEMICAL PHYSICS LETTERS

Indirectly detected through-bond chemical shift correlation NMR spectroscopy in solids under fast MAS: Studies of organic–inorganic hybrid materials

(2008) Kanmi Mao et al.   JOURNAL OF MAGNETIC RESONANCE

Synthesis and Solid-State Study of Supramolecular Host−Guest Assemblies: Bis[6-O,6-O′-(1,2:3,4-diisopropylidene-α-d-galactopyranosyl)thiophosphoryl] Dichalcogenides

(2008) Marek J. Potrzebowski et al.   JOURNAL OF ORGANIC CHEMISTRY