TY - JOUR AU - Suardíaz Delrío, Reynier AU - Crespo-Otero, Rachel AU - Pérez, Christine AU - San Fabián, Jesús AU - García de la Vega, José Manuel PY - 2011 DO - 10.1063/1.3553204 SN - 0021-9606 UR - https://hdl.handle.net/20.500.14352/92505 T2 - The Journal of Chemical Physics AB - Quantitative side-chain torsion angle χ1 determinations of phenylalanine residues in Desulfovibrio vulgaris flavodoxin are carried out using exclusively the correlation between the experimental vicinal coupling constants and theoretically determined... LA - eng PB - American Institute of Physics KW - Bond angle KW - Correlation-consistent basis sets KW - Becke KW - Three-parameter KW - Lee-Yang-Parr KW - X-rays KW - Fourier analysis KW - Hyperfine structure KW - Coupling constants KW - Nuclear magnetic resonance KW - Amino acid KW - Proteins TI - Communication: Accurate determination of side-chain torsion angle χ1 in proteins: Phenylalanine residues TY - journal article VL - 134 ER -