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Journal of Molecular Modeling

Resumen/Descripción – provisto por la editorial en inglés
The Journal of Molecular Modeling focuses on ""hardcore"" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling.

Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry.
Palabras clave – provistas por la editorial

No disponibles.

Disponibilidad
Institución detectada Período Navegá Descargá Solicitá
No detectada desde ene. 1997 / hasta dic. 2023 SpringerLink

Información

Tipo de recurso:

revistas

ISSN impreso

1610-2940

ISSN electrónico

0948-5023

Editor responsable

Springer Nature

País de edición

Alemania

Fecha de publicación

Cobertura temática

matematica

Matemáticas

computacion

Ciencias de la computación e información

quimica

Ciencias químicas

electronica

Ingeniería eléctrica, electrónica e informática

ingenieria-quimica

Ingeniería química

Tabla de contenidos

doi: 10.1007/s00894-019-3959-x

Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4′-O-α-L-rhamnopyranoside through a computational study

Rodrigo A. Mendes; Shawan K. C. Almeida; Iuri N. Soares; Cristina A. Barboza; Renato G. Freitas; Alex Brown; Gabriel L. C. de SouzaORCID

Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.

Pp. No disponible

doi: 10.1007/s00894-021-04723-2

Fast and accurate procedure to perform SCF or DFT calculation for large molecules

Ali H. Pakiari; M. Salarhaji

Palabras clave: Physical and Theoretical Chemistry; Inorganic Chemistry; Organic Chemistry; Computational Theory and Mathematics; Catalysis; Computer Science Applications.

Pp. No disponible

doi: 10.1007/s00894-023-05492-w

A compact review of progress and prospects of deep learning in drug discovery

Huijun Li; Lin Zou; Jamal Alzobair Hammad Kowah; Dongqiong He; Zifan Liu; Xuejie Ding; Hao Wen; Lisheng Wang; Mingqing Yuan; Xu LiuORCID

Pp. No disponible