SESCA: Predicting Circular Dichroism Spectra from Protein Molecular Structures.

Nagy, Gabor; Igaev, Maxim; Jones, Nykola C; Hoffmann, Søren V; Grubmüller, Helmut

Nagy, Gabor; Igaev, Maxim; Jones, Nykola C; Hoffmann, Søren V; Grubmüller, Helmut.

Afiliação

Nagy G; Department of Theoretical and Computational Biophysics , Max Planck Institute for Biophysical Chemistry , Am Fassberg 11 , D-37077 Göttingen , Germany.
Igaev M; Department of Theoretical and Computational Biophysics , Max Planck Institute for Biophysical Chemistry , Am Fassberg 11 , D-37077 Göttingen , Germany.
Jones NC; ISA, Department of Physics & Astronomy , Aarhus University , Ny Munkegade 120 , DK 8000 Aarhus C , Denmark.
Hoffmann SV; ISA, Department of Physics & Astronomy , Aarhus University , Ny Munkegade 120 , DK 8000 Aarhus C , Denmark.
Grubmüller H; Department of Theoretical and Computational Biophysics , Max Planck Institute for Biophysical Chemistry , Am Fassberg 11 , D-37077 Göttingen , Germany.

J Chem Theory Comput ; 15(9): 5087-5102, 2019 Sep 10.

Article em En | MEDLINE | ID: mdl-31402660

Assuntos

Dicroísmo Circular; Proteínas/química; Algoritmos; Modelos Moleculares; Conformação Proteica; Teoria Quântica

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Proteínas / Dicroísmo Circular Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Alemanha

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