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Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations.
Thai, Quynh Mai; Pham, T Ngoc Han; Hiep, Dinh Minh; Pham, Minh Quan; Tran, Phuong-Thao; Nguyen, Trung Hai; Ngo, Son Tung.
Afiliação
  • Thai QM; Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Viet Nam.
  • Pham TNH; Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Viet Nam.
  • Hiep DM; Department of Agriculture and Rural Development, Ho Chi Minh City, Viet Nam.
  • Pham MQ; Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, Hanoi, Viet Nam; Graduate University of Science and Technology, Vietnam Academy of Science and Technology, Hanoi, Viet Nam.
  • Tran PT; Hanoi University of Pharmacy, 13-15 Le Thanh Tong, Hanoi, Viet Nam.
  • Nguyen TH; Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University, Ho Chi Minh City, Viet Nam; Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Viet Nam. Electronic address: nguyentrunghai@tdtu.edu.vn.
  • Ngo ST; Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Viet Nam; Laboratory of Theoretical and Computational Biophysics, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Viet Nam. Electronic address: ngosontung@tdtu.edu.vn.
J Mol Graph Model ; 115: 108230, 2022 09.
Article em En | MEDLINE | ID: mdl-35661591
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Inibidores da Colinesterase / Doença de Alzheimer Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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PubMed Links
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Inibidores da Colinesterase / Doença de Alzheimer Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article