Harmonic Vibrational Frequency Simulation of Pharmaceutical Molecules via a Novel Multi-Molecular Fragment Interception Method.

Wang, Linjie; Zhang, Pengtu; Geng, Yali; Zhu, Zaisheng; Yuan, Shiling

Wang, Linjie; Zhang, Pengtu; Geng, Yali; Zhu, Zaisheng; Yuan, Shiling.

Afiliação

Wang L; School of Chemical Engineering, Shandong Institute of Petroleum and Chemical Technology, Dongying 257061, China.
Zhang P; School of Chemical Engineering, Shandong Institute of Petroleum and Chemical Technology, Dongying 257061, China.
Geng Y; School of Chemical Engineering, Shandong Institute of Petroleum and Chemical Technology, Dongying 257061, China.
Zhu Z; School of Chemical Engineering, Shandong Institute of Petroleum and Chemical Technology, Dongying 257061, China.
Yuan S; School of Chemical Engineering, Shandong Institute of Petroleum and Chemical Technology, Dongying 257061, China.

Molecules ; 28(12)2023 Jun 08.

Article em En | MEDLINE | ID: mdl-37375193

Assuntos

Finasterida; Lamivudina; Conformação Molecular; Espectroscopia de Infravermelho com Transformada de Fourier; Análise Espectral Raman; Preparações Farmacêuticas; Teoria Quântica; Vibração

Palavras-chave

DFT; Infrared spectroscopy; molecular modeling; multi-molecular fragment interception

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Texto completo: 1 Coleções: 01-internacional Temas: Acesso_medicamentos_insumos_estrategicos Contexto em Saúde: 1_ASSA2030 Base de dados: MEDLINE Assunto principal: Finasterida / Lamivudina Tipo de estudo: Prognostic_studies Idioma: En Revista: Molecules Ano de publicação: 2023 Tipo de documento: Article

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