Predicting Experimental <i>B</i><sub>22</sub> Values and the Effects of Histidine Charge States for Monoclonal Antibodies Using Coarse-Grained Molecular Simulations.

Shahfar, Hassan; O'Brien, Christopher J; Budyak, Ivan L; Roberts, Christopher J

Predicting Experimental B₂₂ Values and the Effects of Histidine Charge States for Monoclonal Antibodies Using Coarse-Grained Molecular Simulations.

Shahfar, Hassan; O'Brien, Christopher J; Budyak, Ivan L; Roberts, Christopher J.

Afiliação

Shahfar H; Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware19716, United States.
O'Brien CJ; Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware19716, United States.
Budyak IL; Bioproduct Research and Development, Lilly Research Laboratories, Eli Lilly and Company, Indianapolis, Indiana46285, United States.
Roberts CJ; Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware19716, United States.

Mol Pharm ; 19(11): 3820-3830, 2022 11 07.

Article em En | MEDLINE | ID: mdl-36194430

Assuntos

Anticorpos Monoclonais; Antineoplásicos Imunológicos; Anticorpos Monoclonais/química; Histidina; Eletricidade Estática; Concentração Osmolar; Concentração de Íons de Hidrogênio

Palavras-chave

coarse-grained modeling; electrostatic interactions; fluctuating-charge states; protein−protein interactions; second osmotic virial coefficient

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Antineoplásicos Imunológicos / Anticorpos Monoclonais Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Mol Pharm Assunto da revista: BIOLOGIA MOLECULAR / FARMACIA / FARMACOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Estados Unidos

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