ePharmer: An integrated and graphical software for pharmacophore-based virtual screening.

Mao, Yuxia; Li, Shiliang; Gong, Bojie; Lai, Luhua; He, Gaoqi; Li, Honglin

Mao, Yuxia; Li, Shiliang; Gong, Bojie; Lai, Luhua; He, Gaoqi; Li, Honglin.

Afiliação

Mao Y; School of Computer Science and Technology, East China Normal University, Shanghai, China.
Li S; Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, China.
Gong B; Department of Computer Science and Engineering, East China University of Science and Technology, Shanghai, China.
Lai L; BNLMS, Peking-Tsinghua Center for Life Sciences at College of Chemistry and Molecular Engineering, Peking University, Beijing, China.
He G; School of Computer Science and Technology, East China Normal University, Shanghai, China.
Li H; Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai, China.

J Comput Chem ; 42(30): 2181-2195, 2021 11 15.

Article em En | MEDLINE | ID: mdl-34410013

Assuntos

Descoberta de Drogas; Software; Avaliação Pré-Clínica de Medicamentos; Estrutura Molecular; Relação Estrutura-Atividade

Palavras-chave

graphical CADD software; ligand-based pharmacophore modeling; stand-alone computation software; structure-based pharmacophore modeling; virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Software / Descoberta de Drogas Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: China

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