Amino acids and small peptides as building blocks for proteins: Comparative theoretical and spectroscopic studies

Journal of Molecular Structure: THEOCHEM

Volumn 675, Issue 1-3, 2004, Pages 61-77

  Jalkanen, K J ^a   Elstner, M ^b   Suhai, S ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

Conformational analysis; Density functional theory; Raman and Raman optical activity; Self consistent charge density functional tight binding semi empirical; Vibrational absorption; Vibrational circular dichroism; Vibrational spectroscopy

Indexed keywords

AMINO ACID DERIVATIVE; PEPTIDE DERIVATIVE; PROTEIN DERIVATIVE; SOLVENT;

AB INITIO CALCULATION; AQUEOUS SOLUTION; CHEMICAL MODEL; CIRCULAR DICHROISM; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; EMPIRICISM; ENERGY TRANSFER; GAS; INFRARED RADIATION; MATHEMATICAL COMPUTING; PROTEIN SECONDARY STRUCTURE; REVIEW; SPECTROSCOPY; VIBRATION;

EID: 2342576780     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.12.045     Document Type: Article

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