Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity.

Nguyen, Nguyen Thanh; Nguyen, Trung Hai; Pham, T Ngoc Han; Huy, Nguyen Truong; Bay, Mai Van; Pham, Minh Quan; Nam, Pham Cam; Vu, Van V; Ngo, Son Tung

Nguyen, Nguyen Thanh; Nguyen, Trung Hai; Pham, T Ngoc Han; Huy, Nguyen Truong; Bay, Mai Van; Pham, Minh Quan; Nam, Pham Cam; Vu, Van V; Ngo, Son Tung.

Afiliación

Nguyen NT; Department of Theoretical Physics , Ho Chi Minh City University of Science , Ho Chi Minh City 700000 , Vietnam.
Nguyen TH; Laboratory of Theoretical and Computational Biophysics , Ton Duc Thang University , Ho Chi Minh City 700000 , Vietnam.
Pham TNH; Faculty of Applied Sciences , Ton Duc Thang University , Ho Chi Minh City 700000 , Vietnam.
Huy NT; Faculty of Pharmacy , Ton Duc Thang University , Ho Chi Minh City 700000 , Vietnam.
Bay MV; Faculty of Pharmacy , Ton Duc Thang University , Ho Chi Minh City 700000 , Vietnam.
Pham MQ; Department of Chemical Engineering , The University of Da Nang, University of Science and Technology , Da Nang City 550000 , Vietnam.
Nam PC; Institute of Natural Products Chemistry , Vietnam Academy of Science and Technology , Hanoi 100000 , Vietnam.
Vu VV; Department of Chemical Engineering , The University of Da Nang, University of Science and Technology , Da Nang City 550000 , Vietnam.
Ngo ST; NTT Hi-Tech Institute , Nguyen Tat Thanh University , Ho Chi Minh City 700000 , Vietnam.

J Chem Inf Model ; 60(1): 204-211, 2020 01 27.

Article en En | MEDLINE | ID: mdl-31887035

Asunto(s)

Diseño de Fármacos; Proteínas/química; Ligandos; Simulación del Acoplamiento Molecular; Unión Proteica

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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Diseño de Fármacos / Proteínas Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: Vietnam

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