Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET.

Zuo, Ke; Capelli, Riccardo; Rossetti, Giulia; Nechushtai, Rachel; Carloni, Paolo

Zuo, Ke; Capelli, Riccardo; Rossetti, Giulia; Nechushtai, Rachel; Carloni, Paolo.

Afiliación

Zuo K; The Alexander Silberman Institute of Life Science, The Hebrew University of Jerusalem, Edmond J. Safra Campus at Givat Ram, 91904 Jerusalem, Israel.
Capelli R; Department of Physics, RWTH Aachen University, 52074 Aachen, Germany.
Rossetti G; Computational Biomedicine, Institute of Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany.
Nechushtai R; Department of Physics, Università di Ferrara, 44121 Ferrara, Italy.
Carloni P; Department of Biosciences, Università degli Studi di Milano, Via Celoria 26, 20133 Milan, Italy.

J Chem Inf Model ; 63(2): 643-654, 2023 01 23.

Article en En | MEDLINE | ID: mdl-36623826

Asunto(s)

Diabetes Mellitus Tipo 2; Proteínas Hierro-Azufre; Neoplasias; Humanos; Proteínas Hierro-Azufre/química; Ligandos; Proteínas Mitocondriales/metabolismo; Oxidación-Reducción

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Texto completo: 1 Colección: 01-internacional Asunto principal: Diabetes Mellitus Tipo 2 / Proteínas Hierro-Azufre / Neoplasias Tipo de estudio: Prognostic_studies / Risk_factors_studies Límite: Humans Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Israel

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