Catálogo de publicaciones - revistas
Journal of Chemical Information and Modeling
Resumen/Descripción – provisto por la editorial
No disponible.
Palabras clave – provistas por la editorial
No disponibles.
Disponibilidad
| Institución detectada | Período | Navegá | Descargá | Solicitá |
|---|---|---|---|---|
| No detectada | desde ene. 2005 / hasta dic. 2023 | ACS Publications |
Información
Tipo de recurso:
revistas
ISSN impreso
1549-9596
ISSN electrónico
1549-960X
Editor responsable
American Chemical Society (ACS)
País de edición
Estados Unidos
Fecha de publicación
2005-
Tabla de contenidos
Understanding of Structure and Thermodynamics of Melamine Association in Aqueous Solution from a Unified Theoretical and Experimental Approach
Krishna Gopal Chattaraj; Sandip Paul
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. 1610-1624
Imputation of Assay Bioactivity Data Using Deep Learning
T. M. Whitehead; B. W. J. Irwin; P. Hunt; M. D. Segall; G. J. Conduit
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. 1197-1204
AlphaFold 2: Why It Works and Its Implications for Understanding the Relationships of Protein Sequence, Structure, and Function
Jeffrey Skolnick; Mu Gao; Hongyi Zhou; Suresh Singh
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. No disponible
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
Joel Ricci-Lopez; Sergio A. Aguila; Michael K. Gilson; Carlos A. Brizuela
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. 5362-5376
Characterization of an Allosteric Pocket in Zika Virus NS2B-NS3 Protease
Naiá Porã Santos; Lucianna Helene Santos; Mariana Torquato Quezado de Magalhães; Jian Lei; Rolf Hilgenfeld; Rafaela Salgado Ferreira; Lucas Bleicher
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. 945-957
Carbon-Centered Hydrogen Bonds in Proteins
Juhi Dutta; Akshay Kumar Sahu; Abhijeet S. Bhadauria; Himansu S. Biswal
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. No disponible
MolGPT: Molecular Generation Using a Transformer-Decoder Model
Viraj Bagal; Rishal Aggarwal; P. K. Vinod; U. Deva Priyakumar
Pp. 2064-2076
Exploring Potential Energy Surfaces Using Reinforcement Machine Learning
Alexis W. Mills; Joshua J. Goings; David Beck; Chao Yang; Xiaosong Li
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. No disponible
Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors
Dušan Petrović; James S. Scott; Michael S. Bodnarchuk; Olivier Lorthioir; Scott Boyd; George M. Hughes; Jordan Lane; Allan Wu; David Hargreaves; James Robinson; Jens Sadowski
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. 3832-3843
Self-Focusing Virtual Screening with Active Design Space Pruning
David E. Graff; Matteo Aldeghi; Joseph A. Morrone; Kirk E. Jordan; Edward O. Pyzer-Knapp; Connor W. Coley
Palabras clave: Library and Information Sciences; Computer Science Applications; General Chemical Engineering; General Chemistry.
Pp. 3854-3862