Molecular Dynamics Simulations of a Conformationally Mobile Peptide-Based Catalyst for Atroposelective Bromination.

Yan, Xin Cindy; Metrano, Anthony J; Robertson, Michael J; Abascal, Nadia C; Tirado-Rives, Julian; Miller, Scott J; Jorgensen, William L

Yan, Xin Cindy; Metrano, Anthony J; Robertson, Michael J; Abascal, Nadia C; Tirado-Rives, Julian; Miller, Scott J; Jorgensen, William L.

Affiliation

Yan XC; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Metrano AJ; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Robertson MJ; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Abascal NC; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Tirado-Rives J; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Miller SJ; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
Jorgensen WL; Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.

ACS Catal ; 8(11): 9968-9979, 2018 Nov 02.

Article de En | MEDLINE | ID: mdl-30687577

Mots clés

Asymmetric Catalysis; Atropisomerism; Cluster Analysis; Conformation; Molecular Dynamics; Peptides

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Type d'étude: Prognostic_studies Langue: En Journal: ACS Catal Année: 2018 Type de document: Article Pays d'affiliation: États-Unis d'Amérique Pays de publication: États-Unis d'Amérique

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