Topological Water Network Analysis Around Amino Acids.

Choi, Kwang-Eun; Chae, Eunkyoung; Balupuri, Anand; Yoon, Hye Ree; Kang, Nam Sook

Choi, Kwang-Eun; Chae, Eunkyoung; Balupuri, Anand; Yoon, Hye Ree; Kang, Nam Sook.

Afiliación

Choi KE; Graduate School of New Drug Discovery and Development, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134, Korea.
Chae E; Graduate School of New Drug Discovery and Development, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134, Korea.
Balupuri A; Graduate School of New Drug Discovery and Development, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134, Korea.
Yoon HR; Graduate School of New Drug Discovery and Development, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134, Korea.
Kang NS; Graduate School of New Drug Discovery and Development, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon 34134, Korea. nskang@cnu.ac.kr.

Molecules ; 24(14)2019 Jul 22.

Article en En | MEDLINE | ID: mdl-31336667

Asunto(s)

Aminoácidos/química; Agua/química; Conformación Molecular; Simulación del Acoplamiento Molecular; Simulación de Dinámica Molecular; Estructura Molecular; Reproducibilidad de los Resultados; Relación Estructura-Actividad

Palabras clave

amino acids; molecular dynamics simulation; topological water network; water

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Agua / Aminoácidos Idioma: En Año: 2019 Tipo del documento: Article

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Agua / Aminoácidos Idioma: En Año: 2019 Tipo del documento: Article