Search Results - "Villegas, Myriam E."

Analysis of 13Cα and 13Cβ chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach by Martin, Osvaldo A, Villegas, Myriam E, Vila, Jorge A, Scheraga, Harold A

“…Cysteines possess a unique property among the 20 naturally occurring amino acids: it can be present in proteins in either the reduced or oxidized form, and can…”
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Predicting ¹³Cα chemical shifts for validation of protein structures by Vila, Jorge A, Villegas, Myriam E, Baldoni, Hector A, Scheraga, Harold A

“…The ¹³Cα chemical shifts for 16,299 residues from 213 conformations of four proteins (experimentally determined by X-ray crystallography and Nuclear Magnetic…”
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Analysis of and chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach by Martin, Osvaldo A., Villegas, Myriam E., Vila, Jorge A., Scheraga, Harold A.

“…Cysteines possess a unique property among the 20 naturally occurring amino acids: it can be present in proteins in either the reduced or oxidized form, and can…”
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Effects of side-chain orientation on the ¹³C chemical shifts of antiparallel β-sheet model peptides by Villegas, Myriam E, Vila, Jorge A, Scheraga, Harold A

“…The dependence of the ¹³C chemical shift on side-chain orientation was investigated at the density functional level for a two-strand antiparallel β-sheet model…”
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On the pH-conformational dependence of the unblocked SYPYD peptide by Ripoll, D R, Vila, J A, Villegas, M E, Scheraga, H A

“…Simulations were carried out for an unblocked pentapeptide with the sequence Ser-Tyr-Pro-Tyr-Asp (SYPYD) with explicit consideration of the coupling between…”
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Analysis of ^sup 13^C^sup [alpha]^ and ^sup 13^C^sup [beta]^ chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach by Martin, Osvaldo A, Villegas, Myriam E, Vila, Jorge A, Scheraga, Harold A

“…Cysteines possess a unique property among the 20 naturally occurring amino acids: it can be present in proteins in either the reduced or oxidized form, and can…”
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Effects of side-chain orientation on the 13C chemical shifts of antiparallel [beta]-sheet model peptides by Villegas, Myriam E, Vila, Jorge A, Scheraga, Harold A

“…The dependence of the ^sup 13^C chemical shift on side-chain orientation was investigated at the density functional level for a two-strand antiparallel β-sheet…”
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Effects of side-chain orientation on the super(13)C chemical shifts of antiparallel beta -sheet model peptides by Villegas, Myriam E, Vila, Jorge A, Scheraga, Harold A

“…The dependence of the super(13)C chemical shift on side-chain orientation was investigated at the density functional level for a two-strand antiparallel beta…”
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Predicting 13C[alpha] chemical shifts for validation of protein structures by Vila, Jorge A, Villegas, Myriam E, Baldoni, Hector A, Scheraga, Harold A

“…The ^sup 13^C^sup α^ chemical shifts for 16,299 residues from 213 conformations of four proteins (experimentally determined by X-ray crystallography and…”
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Predicting 13Calpha chemical shifts for validation of protein structures by Vila, Jorge A, Villegas, Myriam E, Baldoni, Hector A, Scheraga, Harold A

“…The (13)C(alpha) chemical shifts for 16,299 residues from 213 conformations of four proteins (experimentally determined by X-ray crystallography and Nuclear…”
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Analysis of 13Calpha and 13Cbeta chemical shifts of cysteine and cystine residues in proteins: a quantum chemical approach by Martin, Osvaldo A, Villegas, Myriam E, Vila, Jorge A, Scheraga, Harold A

“…Cysteines possess a unique property among the 20 naturally occurring amino acids: it can be present in proteins in either the reduced or oxidized form, and can…”
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Role of Hydrophobicity and Solvent-Mediated Charge-Charge Interactions in Stabilizing α-Helices by Vila, Jorge A., Ripoll, Daniel R., Villegas, Myriam E., Vorobjev, Yury N., Scheraga, Harold A.

“…A theoretical study to identify the conformational preferences of lysine-based oligopeptides has been carried out. The solvation free energy and free energy of…”
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Three-dimensional studies of pathogenic peptides from the c-terminal of Trypanosoma cruziribosomal P proteins and their interaction with a monoclonal antibody structural model by Martín, Osvaldo A, Villegas, Myriam E, Aguilar, Carlos F

“…The acidic C-terminal peptides from Trypanosoma cruzi ribosomal P proteins are the major target of the antibody response in patients suffering Chagas chronic…”
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Three-dimensional studies of pathogenic peptides from the c-terminal of Trypanosoma cruzi ribosomal P proteins and their interaction with a monoclonal antibody structural model by Martín, Osvaldo A, Villegas, Myriam E, Aguilar, Carlos F

“…The acidic C-terminal peptides from Trypanosoma cruzi ribosomal P proteins are the major target of the antibody response in patients suffering Chagas chronic…”
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