Conformational analysis of thiopeptides: Free energy calculations on the effects of thio-substitutions on the conformational distributions of alanine dipeptides

Journal of Molecular Graphics and Modelling

Volumn 20, Issue 3, 2001, Pages 245-256

  Tran, Tran Trung ^b   Burgess, Antony W ^a   Treutlein, Herbert ^a   Zeng, Jun ^a  

^a ROYAL MELBOURNE HOSPITAL   (Australia)

^b UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Conformationally restricted amino acids; Dipeptide and umbrella sampling; Free energy; Non natural amino acids; Ramanchandran plot; Thioamides; Uncoded amino acids

Indexed keywords

DRUG PRODUCTS; ENZYMES; ORGANIC COMPOUNDS; PROTEINS;

DIPEPTIDES;

FREE ENERGY;

ACETIC ACID DERIVATIVE; ALANYLALANINE; PEPTIDE; SULFUR; THIOAMIDE; THIOPEPTIDE; UNCLASSIFIED DRUG; WATER;

ARTICLE; CALCULATION; DIELECTRIC CONSTANT; ENERGY; MODEL; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN LOCALIZATION; PROTEIN STABILITY; PROTEIN STRUCTURE; SAMPLING; STEREOSPECIFICITY;

EID: 0035214795     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(01)00118-8     Document Type: Article

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