Computational study of the effects of protein tyrosine nitrations on the catalytic activity of human thymidylate synthase

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 1, 2013, Pages 45-66

  Jarmuła, Adam ^a   Rode, Wojciech ^a  

^a NENCKI INSTITUTE OF EXPERIMENTAL BIOLOGY   (Poland)

Author keywords

Binding free energy computations; Essential dynamics; Molecular dynamics; Protein tyrosine nitration; Thymidylate synthase

Indexed keywords

AMINO ACIDS; BINDING ENERGY; CATALYST ACTIVITY; COMPUTATIONAL CHEMISTRY; CRYSTAL STRUCTURE; ENZYMES; FREE ENERGY; HISTOLOGY; MAMMALS; MASS SPECTROMETRY; MOLECULES; TISSUE;

BINDING FREE ENERGY; BINDING FREE ENERGY COMPUTATION; COMPUTATIONAL STUDIES; ESSENTIAL DYNAMICS; FREE ENERGY COMPUTATIONS; POST-TRANSLATIONAL MODIFICATIONS; PROTEIN TYROSINE NITRATIONS; THYMIDYLATE SYNTHASE; TYROSINE NITRATION; TYROSINE RESIDUES;

MOLECULAR DYNAMICS;

TETRAHYDROFOLIC ACID; THYMIDYLATE SYNTHASE; TYROSINE;

AMINO ACID SEQUENCE; ARTICLE; CATALYSIS; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENERGY; ENZYME ACTIVITY; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; NITRATION; PRIORITY JOURNAL; PROTEIN TYROSINE NITRATION;

EID: 84874116078     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9624-4     Document Type: Article

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